%chk=000053839.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053839

0 1
 O    3.893400      -1.150000     -0.1466000    
 O  -0.1548000      0.5873000     -0.2629000    
 O   -1.518300       1.970900      0.9439000    
 N    3.348300       1.637800     -0.2051000    
 N   -2.369100      0.2662000     -0.4163000    
 C    2.261600      0.6539000     -0.3301000    
 C    2.669000     -0.6479000      0.3961000    
 C   0.9833000       1.275800      0.2460000    
 C    3.287500       2.290400       1.098900    
 C    3.262700       2.620300      -1.280800    
 C    1.652300      -1.762000      0.2700000    
 C    4.430800       3.275400       1.273800    
 C    3.325300       1.949900      -2.642700    
 C    1.733100      -2.663400     -0.7916000    
 C   0.6339000      -1.887300       1.215100    
 C    4.569400      -1.973400      0.7890000    
 C   0.7959000      -3.689900     -0.9079000    
 C  -0.3032000      -2.913800       1.098800    
 C  -0.2223000      -3.815100      3.7400000E-02
 C   -1.380000       1.034300      0.1666000    
 C   -3.768600      0.3792000     -0.2532000    
 C   -4.622100     -0.4932000     -0.9288000    
 C   -4.296300       1.362400      0.5839000    
 C   -6.003200     -0.3821000     -0.7677000    
 C   -5.677500       1.473300      0.7450000    
 C   -6.530800      0.6010000      6.9300003E-02
 H    2.082700      0.3486000      -1.364600    
 H    2.814400     -0.4451000       1.465500    
 H   0.8522000       2.316900     -6.6900000E-02
 H   0.9555000       1.216700       1.341300    
 H    3.380100       1.556700       1.906700    
 H    2.381200       2.876800       1.283400    
 H    4.136200       3.280900      -1.247500    
 H    2.379000       3.265800      -1.224400    
 H    4.495200       3.580200       2.324800    
 H    4.290300       4.191500      0.6917000    
 H    5.394500       2.828200       1.006700    
 H    3.614000       2.690800      -3.397800    
 H    2.357400       1.554200      -2.965300    
 H    4.074300       1.151000      -2.677300    
 H    2.502800      -2.580600      -1.554000    
 H   0.5617000      -1.197600       2.051600    
 H    5.482100      -2.344500      0.3140000    
 H    3.971900      -2.838200       1.091700    
 H    4.861300      -1.393200       1.670500    
 H   0.8559000      -4.389100      -1.736800    
 H   -1.096000      -3.011200       1.834700    
 H  -0.9529000      -4.613500     -5.4000001E-02
 H   -2.054800     -0.4738000      -1.039400    
 H   -4.223900      -1.264000      -1.583600    
 H   -3.698600       2.072000       1.138800    
 H   -6.667800      -1.061300      -1.293700    
 H   -6.089800       2.238500       1.396500    
 H   -7.606200      0.6873000      0.1949000    


%chk=000053839-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053839

0 1
O 3.493126 -1.010694 -0.736943
O -0.246209 0.930869 -0.538845
O -1.751277 1.844755 1.029297
N 3.345644 1.887589 -0.162440
N -2.386229 0.228731 -0.593654
C 2.199677 0.968355 -0.357301
C 2.532288 -0.444520 0.223132
C 0.879015 1.587378 0.164707
C 3.488967 2.499859 1.180597
C 3.611464 2.787365 -1.311109
C 1.336725 -1.378555 0.411451
C 4.963444 2.730236 1.570962
C 4.357283 2.078412 -2.459943
C 0.844237 -2.139723 -0.679337
C 0.698235 -1.493755 1.669941
C 4.287938 -2.102993 -0.175548
C -0.275740 -2.983742 -0.517362
C -0.431092 -2.329442 1.833247
C -0.923851 -3.075829 0.738972
C -1.511281 1.072883 0.066962
C -3.778104 0.063298 -0.366543
C -4.456442 -0.910228 -1.149049
C -4.500029 0.824401 0.591246
C -5.839793 -1.119532 -0.978979
C -5.885115 0.601995 0.747781
C -6.565824 -0.363835 -0.028592
H 2.072884 0.819799 -1.445997
H 3.031419 -0.299529 1.208646
H 0.856763 2.667267 -0.074309
H 0.735776 1.471079 1.254336
H 3.036606 1.813351 1.922446
H 2.931693 3.465410 1.270827
H 4.228746 3.629380 -0.947588
H 2.667675 3.242334 -1.702825
H 5.033765 3.167183 2.585070
H 5.466175 3.423129 0.871935
H 5.515269 1.774187 1.552354
H 4.496119 2.764045 -3.317620
H 3.802031 1.190674 -2.810000
H 5.344218 1.728961 -2.111708
H 1.358814 -2.068636 -1.643981
H 1.083547 -0.931387 2.530742
H 4.972238 -2.423905 -0.976954
H 3.653637 -2.958569 0.134724
H 4.880217 -1.755177 0.697006
H -0.638717 -3.578751 -1.364078
H -0.921043 -2.400793 2.810633
H -1.796690 -3.726265 0.864709
H -1.943701 -0.385153 -1.281934
H -3.899787 -1.499432 -1.889127
H -3.975343 1.566471 1.196610
H -6.349676 -1.872571 -1.590236
H -6.435871 1.193327 1.488135
H -7.640824 -0.525703 0.103136


