%chk=000222057.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222057

0 1
O 0.002014 -1.152241 0.358776
O 0.499869 -0.114295 -1.590079
N -3.673045 -0.554749 0.238095
C 2.865814 0.874998 -0.008416
C 2.253968 -0.538059 0.102778
C 1.979899 1.952957 0.656568
C 4.235209 0.987043 0.697739
C 2.938412 3.058970 1.129796
C 4.349901 2.441698 1.189330
C -2.259785 -0.221159 0.640056
C 3.100455 -1.595725 -0.630452
C -4.736822 0.226311 0.952578
C -3.966747 -0.384145 -1.224946
C -5.335481 1.264683 -0.022507
C -4.790082 0.907009 -1.415008
C -1.388865 -1.317865 -0.043605
C 0.867119 -0.533668 -0.517688
C -1.796050 1.178604 0.206771
C -2.118729 -0.377104 2.165187
C 2.643644 -3.023982 -0.302776
C 3.434057 -4.060187 -1.096671
H 2.988311 1.126717 -1.089706
H 2.166796 -0.819522 1.184684
H 1.423196 1.534906 1.513726
H 1.227747 2.340594 -0.050681
H 5.060163 0.725816 0.016260
H 4.299554 0.288373 1.550142
H 2.632766 3.453461 2.112530
H 2.919619 3.914840 0.433129
H 4.757022 2.478831 2.213141
H 5.050009 3.014187 0.557356
H 3.057120 -1.421506 -1.725021
H 4.165664 -1.474606 -0.353129
H -4.364710 0.705966 1.876277
H -5.508410 -0.512951 1.258505
H -4.560871 -1.273892 -1.526656
H -3.049779 -0.380419 -1.844137
H -6.436974 1.231573 -0.002881
H -5.050534 2.290261 0.263068
H -4.160774 1.720620 -1.813408
H -5.603172 0.756391 -2.142845
H -1.460381 -1.291587 -1.145628
H -1.629572 -2.327307 0.333171
H -0.853692 1.451587 0.692803
H -2.535775 1.943161 0.461672
H -1.621247 1.234599 -0.875504
H -1.058286 -0.445311 2.441465
H -2.552743 0.467255 2.708674
H -2.609380 -1.291691 2.520128
H 1.560138 -3.135019 -0.513447
H 2.754422 -3.216441 0.782675
H 4.507822 -4.001613 -0.886243
H 3.107395 -5.077576 -0.851829
H 3.303297 -3.927593 -2.177220


%chk=000222057-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000222057

0 1
O -0.030666 -1.091446 0.487728
O 0.596682 -0.315839 -1.627812
N -3.734847 -0.551592 0.070660
C 2.904925 0.861680 -0.045932
C 2.304046 -0.559283 0.143954
C 2.083995 2.004939 0.609114
C 4.328363 1.026974 0.577339
C 3.083034 3.183951 0.644784
C 4.435230 2.519888 1.042439
C -2.398406 -0.251633 0.695728
C 3.182489 -1.653409 -0.535461
C -4.981311 -0.116505 0.760177
C -3.947081 -0.106300 -1.338986
C -5.390354 1.261072 0.141211
C -4.756767 1.237862 -1.287411
C -1.440597 -1.281871 0.027490
C 0.899845 -0.619648 -0.449014
C -1.879632 1.200396 0.473651
C -2.432599 -0.551030 2.214213
C 2.680532 -3.098794 -0.318425
C 3.632090 -4.145741 -0.936262
H 2.956619 1.059863 -1.136134
H 2.225741 -0.780453 1.226149
H 1.796610 1.717157 1.641946
H 1.159652 2.238948 0.051422
H 5.121053 0.763407 -0.145015
H 4.443396 0.345075 1.442836
H 2.781450 3.986821 1.341262
H 3.159919 3.632597 -0.364602
H 4.575146 2.569287 2.138249
H 5.296556 3.038231 0.584307
H 3.237957 -1.436923 -1.621252
H 4.210988 -1.566591 -0.134175
H -4.856187 -0.086821 1.852595
H -5.772123 -0.861796 0.538647
H -4.547885 -0.876504 -1.861925
H -2.995163 -0.004413 -1.884969
H -6.488087 1.382026 0.112010
H -4.980679 2.095214 0.739101
H -4.091227 2.105960 -1.436219
H -5.525545 1.267843 -2.080092
H -1.458339 -1.202014 -1.071924
H -1.718973 -2.299810 0.343461
H -0.914058 1.343575 0.990058
H -2.597900 1.929966 0.887792
H -1.724337 1.422251 -0.597122
H -1.396892 -0.624268 2.589177
H -2.940620 0.247513 2.783747
H -2.944318 -1.510242 2.411598
H 1.670867 -3.215659 -0.759536
H 2.568108 -3.289617 0.767934
H 4.641442 -4.080764 -0.487145
H 3.258072 -5.173940 -0.778708
H 3.739285 -3.988391 -2.026059


