%chk=000097198.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097198

0 1
 P   0.8811000       1.343100      -1.601700    
 O   0.7591000       1.441800      -3.095900    
 O    3.506300     -0.1501000      -1.919700    
 O  -0.8501000     -0.9608000      -2.668900    
 O   -2.109600       1.807300      -1.694600    
 N    2.439600       1.679600     -0.9851000    
 N   0.4924000     -0.1877000     -0.9432000    
 N  -0.1051000       2.421300     -0.7180000    
 N    4.667800       1.332200     -0.5639000    
 N  -0.5155000      -2.240600     -0.7644000    
 N   -2.045800       3.450800     -5.6600001E-02
 N    5.824900      0.6182000     -0.6706000    
 N   -1.331000      -3.235600      -1.217800    
 N   -3.394500       3.649000     -0.1130000    
 C    3.543600      0.8685000      -1.230300    
 C  -0.3292000      -1.123900      -1.566300    
 C   -1.482700       2.499000     -0.8929000    
 C    6.418600      9.7800002E-02  0.4861000    
 C   -2.465500      -3.584900     -0.4743000    
 C   -4.235100       2.898600      0.7180000    
 C    7.695900     -0.4596000      0.4244000    
 C   -3.184800      -4.735300     -0.7979000    
 C   -5.608200       2.864800      0.4741000    
 C    5.732300      0.1364000       1.699900    
 C   -2.876200      -2.781700      0.5898000    
 C   -3.699600       2.184900       1.790200    
 C    8.286700     -0.9785000       1.576500    
 C   -4.314900      -5.082600     -5.7799999E-02
 C   -6.445500       2.117700       1.302500    
 C    6.323400     -0.3824000       2.851900    
 C   -4.006300      -3.129200       1.329900    
 C   -4.537000       1.437600       2.618500    
 C    7.600600     -0.9399000       2.790200    
 C   -4.725600      -4.279600       1.006100    
 C   -5.910100       1.404100       2.374500    
 H    2.579500       2.500500     -0.4033000    
 H   0.8688000     -0.4355000     -3.2699998E-02
 H   0.3172000       3.036200     -2.8600000E-02
 H    4.709500       2.203900     -4.7800001E-02
 H  -3.9500002E-02  -2.400000      0.1165000    
 H   -1.523900       4.036400      0.5854000    
 H    6.336400      0.6669000      -1.542000    
 H  -0.9771000      -3.846400      -1.942400    
 H   -3.765800       4.138300     -0.9171000    
 H    8.240800     -0.4959000     -0.5155000    
 H   -2.875100      -5.369200      -1.624800    
 H   -6.037800       3.416500     -0.3582000    
 H    4.733600      0.5544000       1.791100    
 H   -2.350200      -1.873100      0.8702000    
 H   -2.637500       2.192100       2.019700    
 H    9.281000      -1.412800       1.528600    
 H   -4.875300      -5.978100     -0.3100000    
 H   -7.514500       2.091300       1.112600    
 H    5.788900     -0.3542000       3.797000    
 H   -4.328200      -2.502600       2.156700    
 H   -4.120700      0.8827000       3.454200    
 H    8.060500      -1.344400       3.687100    
 H   -5.606000      -4.549500       1.582000    
 H   -6.562000      0.8221000       3.019400    


%chk=000097198-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097198

0 1
P 0.412838 -0.810963 -0.429637
O -0.065308 -0.421771 -1.892413
O 2.777785 0.624485 1.333748
O -1.259537 -4.377245 -0.388611
O -2.148422 0.186499 0.715375
N 2.187605 -1.030295 -0.253770
N -0.120570 -2.389071 0.095045
N 0.180150 0.390620 0.826348
N 4.439752 -0.639806 0.298129
N -2.374430 -2.316059 -0.606676
N -1.190118 1.890380 1.998820
N 5.481517 0.028467 0.939897
N -3.517030 -2.860487 -1.206097
N -2.417724 2.364988 2.464517
C 3.105736 -0.281734 0.502411
C -1.282723 -3.117063 -0.333379
C -1.116807 0.779530 1.160048
C 5.977498 1.259001 0.414288
C -3.649244 -2.821570 -2.621223
C -2.976016 1.837618 3.664477
C 6.854702 2.028058 1.223841
C -4.681938 -3.588810 -3.226823
C -4.339676 2.113080 3.952112
C 5.664889 1.695581 -0.897233
C -2.818926 -1.995775 -3.425002
C -2.195579 1.106476 4.595631
C 7.407637 3.223377 0.721864
C -4.877400 -3.530830 -4.621563
C -4.910537 1.658028 5.157511
C 6.227348 2.894890 -1.386819
C -3.031968 -1.949128 -4.819977
C -2.781306 0.657887 5.799579
C 7.100205 3.666243 -0.586738
C -4.056204 -2.709508 -5.430965
C -4.137342 0.928546 6.092198
H 2.568933 -1.671806 -0.957394
H 0.536384 -2.949402 0.646389
H 1.060279 0.762762 1.260104
H 4.699976 -1.419265 -0.310485
H -2.429726 -1.348673 -0.237543
H -0.363141 2.456373 2.199931
H 5.482547 -0.073613 1.958401
H -3.889407 -3.683494 -0.723823
H -3.076351 2.612680 1.720243
H 7.101448 1.690853 2.238385
H -5.325529 -4.224968 -2.605888
H -4.947446 2.676886 3.233438
H 4.983144 1.113373 -1.525381
H -2.017402 -1.406586 -2.966494
H -1.146325 0.885177 4.376090
H 8.080798 3.810904 1.356108
H -5.674144 -4.130397 -5.077266
H -5.964890 1.872050 5.365763
H 5.976440 3.227344 -2.400358
H -2.385423 -1.310082 -5.432883
H -2.171243 0.090220 6.511579
H 7.531368 4.595367 -0.972878
H -4.211552 -2.665676 -6.514247
H -4.584995 0.576233 7.027095


