%chk=000054317.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054317

0 1
 O    9.763100      0.5241000     -9.4499998E-02
 N   -4.972300     -0.1341000     -4.9800001E-02
 N   -2.102500     -0.3399000      2.1800000E-02
 N    3.500800     -0.7457000      0.1612000    
 C   -4.308300      -1.116100      0.8072000    
 C   -4.133400      0.7402000     -0.8694000    
 C   -2.909200     -0.6380000       1.205100    
 C   -2.798700      6.6200003E-02  -1.199000    
 C   -6.360700     -3.5300002E-02 -8.5299999E-02
 C  -0.7142000     -0.4404000      5.6100000E-02
 C   -7.041400       1.155300      0.2669000    
 C   -7.152200      -1.139400     -0.4809000    
 C   2.8899999E-02 -0.7774000      -1.099900    
 C   1.1700000E-02 -0.2097000       1.248400    
 C   -8.433400       1.235900      0.2254000    
 C   -6.261900       2.356600      0.6934000    
 C   -8.544200      -1.058700     -0.5224000    
 C    1.419600     -0.8782000      -1.065400    
 C    1.402500     -0.3103000       1.282800    
 C   -9.184600      0.1288000     -0.1692000    
 C    2.106400     -0.6447000      0.1258000    
 C    4.161000      0.3416000     -9.6699998E-02
 C    5.632900      0.3898000     -9.5600002E-02
 C    6.273500       1.584800     -0.3813000    
 C    6.349800     -0.7612000      0.1909000    
 C    7.667600       1.630200     -0.3805000    
 C    7.743900     -0.7158000      0.1917000    
 C    8.403000      0.4799000     -9.3999997E-02
 C    10.45240     -0.6883000      0.2069000    
 H   -4.240600      -2.072000      0.2733000    
 H   -4.893600      -1.286200       1.719200    
 H   -3.922100       1.671200     -0.3330000    
 H   -4.641900      0.9967000      -1.806600    
 H   -2.985000      0.2624000       1.827400    
 H   -2.443800      -1.427200       1.808300    
 H   -2.971200     -0.8163000      -1.827500    
 H   -2.195700      0.7784000      -1.775700    
 H   -6.673600      -2.074700     -0.7647000    
 H  -0.4745000     -0.9791000      -2.042800    
 H  -0.5033000      6.5600000E-02   2.166100    
 H   -8.947700       2.154400      0.4952000    
 H   -5.860700       2.884600     -0.1767000    
 H   -6.899900       3.064000       1.236200    
 H   -5.455200       2.091500       1.384400    
 H   -9.129300      -1.920200     -0.8308000    
 H    1.959200      -1.142800      -1.971100    
 H    1.929200     -0.1244000       2.215300    
 H   -10.26840      0.1917000     -0.2024000    
 H    3.635500       1.287200     -0.3300000    
 H    5.712000       2.487200     -0.6061000    
 H    5.860400      -1.704300      0.4164000    
 H    8.175500       2.564500     -0.6041000    
 H    8.252800      -1.645600      0.4224000    
 H    11.52450     -0.4702000      0.1624000    
 H    10.25210      -1.461900     -0.5421000    
 H    10.23790      -1.030700       1.225000    


%chk=000054317-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054317

0 1
O 10.034513 0.084964 -0.371413
N -5.071306 0.051391 0.348216
N -2.157358 -0.198704 0.159134
N 3.541931 -0.277362 0.295312
C -4.350253 -1.158600 0.787843
C -4.238160 1.040319 -0.388865
C -2.930968 -0.802697 1.262455
C -2.939237 0.405353 -0.934219
C -6.469943 -0.034574 0.097290
C -0.757365 -0.209177 0.163778
C -7.294572 1.142600 0.116364
C -7.084717 -1.302080 -0.126583
C -0.002005 0.107540 -1.011282
C -0.025824 -0.562016 1.342859
C -8.675962 1.003816 -0.160851
C -6.751407 2.500295 0.534503
C -8.467987 -1.410554 -0.376506
C 1.401593 0.107583 -0.994196
C 1.377232 -0.583025 1.339954
C -9.273072 -0.251674 -0.415976
C 2.130266 -0.225102 0.187603
C 4.334248 0.381220 -0.521562
C 5.796557 0.273341 -0.448010
C 6.612097 1.028980 -1.340370
C 6.437349 -0.572036 0.499232
C 8.012566 0.945846 -1.291573
C 7.839991 -0.665211 0.561405
C 8.632823 0.097278 -0.339114
C 10.730806 -0.774043 0.590129
H -4.268723 -1.928199 -0.015940
H -4.903683 -1.619584 1.626431
H -3.962077 1.897700 0.257687
H -4.813273 1.435658 -1.246164
H -2.992053 -0.122226 2.139628
H -2.432901 -1.734112 1.593993
H -3.180643 -0.334283 -1.728688
H -2.347557 1.212423 -1.402959
H -6.474573 -2.210503 -0.127544
H -0.516205 0.310267 -1.956112
H -0.555398 -0.803028 2.269232
H -9.303060 1.904115 -0.139609
H -6.202856 3.022457 -0.272308
H -7.577561 3.162003 0.846479
H -6.054315 2.392971 1.386151
H -8.909791 -2.398278 -0.551761
H 1.938103 0.322115 -1.926395
H 1.930587 -0.857298 2.244239
H -10.347174 -0.323046 -0.617194
H 3.948347 1.074512 -1.300221
H 6.136343 1.688175 -2.077542
H 5.803677 -1.148817 1.180781
H 8.647014 1.521744 -1.971925
H 8.304664 -1.323913 1.301527
H 11.801034 -0.621331 0.387892
H 10.470812 -1.839829 0.439824
H 10.502128 -0.479364 1.632640


