%chk=000200593.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200593

0 1
O -2.898728 0.290324 0.310378
O 5.045098 -2.343145 1.202360
N 0.168526 0.892125 -1.295133
N -0.948409 0.091996 -1.102275
N -5.364600 -2.392862 -0.018739
C 0.196232 1.947578 -0.370211
C -1.034127 1.884555 0.371418
C 1.305916 0.357417 -2.073760
C -1.692858 0.698594 -0.138978
C 2.332849 -0.319442 -1.201916
C 1.128948 2.985140 -0.149935
C -3.448890 -0.923750 -0.325877
C -1.333489 2.868010 1.326598
C -4.794292 -1.071499 0.395348
C 0.803807 3.933286 0.801754
C -0.414018 3.881679 1.533923
C 2.000802 -1.519178 -0.540030
C 3.609010 0.229163 -1.047939
C 2.934313 -2.166455 0.256166
C 4.570661 -0.405514 -0.253077
C 4.220343 -1.597417 0.390674
C -6.854950 -2.334623 -0.076371
C -4.920832 -3.479136 0.904527
C 6.388914 -1.856622 1.434316
H 1.748124 1.204743 -2.648369
H 0.906176 -0.366769 -2.828920
H 2.059843 3.019353 -0.704223
H -3.550135 -0.742324 -1.408267
H -2.752149 -1.757953 -0.145873
H -2.270519 2.816932 1.878994
H -4.649396 -0.960032 1.492089
H -5.465162 -0.238034 0.093815
H 1.495744 4.750499 1.008867
H -0.612695 4.658798 2.267873
H 0.995063 -1.933283 -0.653011
H 3.870477 1.160741 -1.549681
H 2.701060 -3.091745 0.778061
H 5.556980 0.030943 -0.146116
H -7.155530 -1.587756 -0.829351
H -7.348748 -2.090958 0.875270
H -7.236152 -3.309128 -0.423332
H -3.819605 -3.509987 0.928418
H -5.261667 -4.446558 0.500942
H -5.284764 -3.388045 1.938283
H 6.946942 -1.818570 0.494617
H 6.794250 -2.628892 2.101406
H 6.360237 -0.883999 1.933688


%chk=000200593-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200593

0 1
O -3.068292 0.409097 0.339149
O 5.387419 -2.337489 1.267703
N 0.175477 0.815176 -1.000339
N -1.018589 0.068287 -0.878363
N -5.535345 -2.363944 -0.132473
C 0.136325 1.971058 -0.231121
C -1.150512 2.000590 0.410035
C 1.272445 0.279649 -1.812983
C -1.798410 0.792969 -0.037199
C 2.384834 -0.379619 -1.001213
C 1.089030 3.001716 -0.031616
C -3.553761 -0.871680 -0.236508
C -1.503923 3.080338 1.256978
C -4.961000 -1.080837 0.335377
C 0.717038 4.063134 0.813235
C -0.563053 4.107930 1.450586
C 2.085128 -1.428217 -0.089537
C 3.730449 0.019710 -1.150635
C 3.102847 -2.054796 0.647822
C 4.770869 -0.601850 -0.419220
C 4.451552 -1.644012 0.483977
C -7.011569 -2.355919 -0.161389
C -5.006797 -3.537634 0.593242
C 6.793078 -1.945442 1.146627
H 1.689540 1.096588 -2.431866
H 0.801715 -0.449112 -2.496143
H 2.077581 2.971138 -0.499940
H -3.575726 -0.800369 -1.338683
H -2.851269 -1.678076 0.046074
H -2.483629 3.105912 1.744108
H -4.919244 -1.008395 1.450402
H -5.603920 -0.254946 -0.018649
H 1.428892 4.876910 0.993253
H -0.805757 4.955662 2.100245
H 1.043254 -1.742452 0.041676
H 3.981453 0.828748 -1.848994
H 2.885053 -2.861609 1.354321
H 5.803292 -0.267210 -0.557263
H -7.369024 -1.520638 -0.788948
H -7.479497 -2.255245 0.851198
H -7.376501 -3.298014 -0.609223
H -3.905760 -3.568619 0.528891
H -5.394887 -4.462832 0.131120
H -5.289358 -3.545086 1.677219
H 7.167392 -2.097850 0.115304
H 7.336028 -2.605527 1.838823
H 6.943733 -0.888993 1.443342


