%chk=000227837.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227837

0 1
O 0.183811 -0.471932 2.622798
N -2.879226 0.619613 -0.283449
N 1.193638 1.526280 2.510576
C -4.129543 0.268858 0.485755
C -5.275472 0.667163 -0.490285
C -3.174883 0.506439 -1.751422
C -4.708529 0.463117 -1.903133
C -1.646309 -0.108686 0.127420
C -4.246697 -1.226046 0.843641
C -4.154875 1.116671 1.765187
C -0.433928 0.779227 -0.217462
C 0.894807 0.237334 0.374660
C 1.098053 -1.193255 -0.126201
C 2.115978 1.051618 -0.054891
C 0.737124 0.355661 1.912319
C 0.976585 -2.324114 0.688127
C 3.392871 0.564833 0.282907
C 1.406572 -1.365926 -1.490048
C 2.011366 2.262590 -0.749950
C 1.167580 -3.603997 0.154751
C 4.538500 1.275878 -0.073626
C 1.594482 -2.642656 -2.018900
C 3.163429 2.973123 -1.107570
C 1.476902 -3.769072 -1.196254
C 4.427148 2.484545 -0.771273
H -5.559145 1.723081 -0.337371
H -6.183782 0.071940 -0.319337
H -2.701930 -0.375340 -2.225903
H -2.748995 1.409415 -2.235292
H -5.035112 -0.503135 -2.323178
H -5.066321 1.242606 -2.594735
H -1.540207 -1.106206 -0.351582
H -1.677190 -0.294355 1.227494
H -3.462257 -1.543933 1.539212
H -5.204080 -1.442955 1.326492
H -4.173957 -1.856572 -0.047762
H -3.359090 0.820530 2.458601
H -3.993357 2.177360 1.536321
H -5.109194 1.019564 2.288916
H -0.340175 0.860042 -1.317772
H -0.626917 1.808382 0.149726
H 0.717393 -2.226502 1.749017
H 3.486956 -0.380984 0.819433
H 1.507408 -0.496384 -2.139002
H 1.038430 2.668321 -1.025294
H 1.677117 2.258357 2.020686
H 1.076070 1.648015 3.505371
H 1.070574 -4.473802 0.802911
H 5.521878 0.887679 0.189032
H 1.834514 -2.762765 -3.073715
H 3.069253 3.911422 -1.652721
H 1.624927 -4.764532 -1.608384
H 5.321608 3.037584 -1.051341


%chk=000227837-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227837

0 1
O 0.026222 -0.202289 2.758427
N -2.913914 0.561996 -0.284874
N 1.714714 1.356060 2.619906
C -4.220323 0.201482 0.372521
C -5.220228 0.891290 -0.596161
C -3.090931 0.453851 -1.758815
C -4.610320 0.690967 -2.012924
C -1.688985 -0.070529 0.245080
C -4.472117 -1.336857 0.425388
C -4.297355 0.798793 1.793424
C -0.456533 0.809144 -0.064717
C 0.927093 0.283100 0.485564
C 1.110908 -1.198662 0.053439
C 2.100906 1.123570 -0.086522
C 0.860487 0.437153 2.044682
C 1.145107 -2.293264 0.952025
C 3.426780 0.609542 -0.024623
C 1.250406 -1.465842 -1.336200
C 1.919259 2.425478 -0.623557
C 1.318436 -3.614043 0.473328
C 4.526387 1.362574 -0.487426
C 1.414765 -2.781399 -1.815141
C 3.019529 3.181982 -1.091817
C 1.451077 -3.867741 -0.909028
C 4.328625 2.656443 -1.025591
H -5.269150 1.967244 -0.349345
H -6.237649 0.470518 -0.506088
H -2.781695 -0.552532 -2.137843
H -2.462591 1.201320 -2.279711
H -5.058853 -0.183634 -2.516811
H -4.791108 1.568235 -2.657461
H -1.529502 -1.091324 -0.177748
H -1.777580 -0.180384 1.337703
H -3.697938 -1.841937 1.031293
H -5.454589 -1.554837 0.884318
H -4.460680 -1.784895 -0.585924
H -3.583021 0.312479 2.482967
H -4.065111 1.877942 1.760485
H -5.311351 0.665707 2.214330
H -0.355275 0.915862 -1.162413
H -0.664684 1.816865 0.341800
H 1.009278 -2.123129 2.022967
H 3.591374 -0.396670 0.376725
H 1.246083 -0.632361 -2.048818
H 0.917364 2.859660 -0.685403
H 2.406375 1.866514 2.072991
H 1.645342 1.503367 3.626896
H 1.342077 -4.445148 1.187648
H 5.535800 0.939614 -0.431211
H 1.518952 -2.958668 -2.891750
H 2.850218 4.182094 -1.506898
H 1.581241 -4.892069 -1.276030
H 5.180481 3.241471 -1.389556


