%chk=000239126.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239126

0 1
O 0.183981 0.657755 2.144652
N -3.143036 -4.453331 0.932664
N 5.689602 -0.269920 -0.412270
C -0.066888 0.171019 -0.655360
C -0.668284 1.372458 0.049296
C -0.838249 -1.070024 -0.244272
C 1.436909 0.048674 -0.497834
C -1.419133 2.345695 -0.695712
C -0.555731 1.565218 1.419438
C -2.025311 3.444784 -0.026761
C -1.915911 -1.506157 -1.027350
C 2.233480 1.163959 -0.203275
C -0.517249 -1.787691 0.917412
C 2.072297 -1.180316 -0.736080
C -1.582077 2.255620 -2.118798
C -1.157983 2.665529 2.103821
C -1.881618 3.581812 1.388778
C -2.318119 -3.369689 0.488066
C 4.259502 -0.180157 -0.352798
C -2.646044 -2.640823 -0.676481
C 3.621278 1.058183 -0.124320
C -1.235580 -2.923251 1.280627
C 3.457377 -1.302143 -0.660399
C -2.775761 4.406928 -0.776029
C -2.303192 3.190305 -2.814400
C -2.913791 4.284781 -2.134563
C -3.961004 -5.123538 -0.117577
C -2.476947 -5.456091 1.811919
C 6.435546 0.779755 0.338865
C 6.262050 -1.621122 -0.148205
H -0.216335 0.307529 -1.771832
H -2.196970 -0.953734 -1.923672
H 1.767826 2.134753 -0.028991
H 0.309292 -1.441410 1.545884
H 1.475651 -2.060036 -0.983398
H -1.107204 1.417117 -2.638179
H -1.037092 2.753797 3.179773
H -2.356819 4.427322 1.886670
H -3.480634 -2.944252 -1.302920
H 4.204110 1.947636 0.101084
H -0.965332 -3.451493 2.191568
H 3.913908 -2.269132 -0.857301
H -3.234553 5.237963 -0.241580
H -2.420889 3.114148 -3.894631
H -3.482756 5.010914 -2.710869
H 0.190066 0.878129 3.107801
H -3.365843 -5.616144 -0.901600
H -4.623323 -4.379495 -0.594447
H -4.614080 -5.876395 0.352330
H -1.661653 -6.008578 1.320412
H -3.225176 -6.180079 2.172457
H -2.067679 -4.947792 2.702915
H 6.151980 1.774982 -0.046648
H 7.515588 0.662670 0.155168
H 6.260498 0.762508 1.425330
H 5.850466 -2.341241 -0.877325
H 6.064311 -1.999877 0.866092
H 7.351926 -1.593632 -0.307141


%chk=000239126-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239126

0 1
O -0.358697 0.476809 2.257545
N -3.059726 -4.745708 0.955169
N 5.724768 -0.160034 -0.174994
C -0.094130 0.053440 -0.552443
C -0.763298 1.308094 0.032588
C -0.839382 -1.231612 -0.121482
C 1.434686 0.001491 -0.377283
C -1.278357 2.364153 -0.815773
C -0.935596 1.449893 1.422458
C -2.009376 3.479205 -0.232036
C -2.087135 -1.531357 -0.721820
C 2.183405 1.027310 0.244147
C -0.353732 -2.138954 0.849486
C 2.164870 -1.079409 -0.936931
C -1.096761 2.380221 -2.244378
C -1.650152 2.544750 2.001074
C -2.188660 3.534905 1.186275
C -2.335350 -3.595739 0.602770
C 4.323491 -0.106941 -0.242082
C -2.828403 -2.677911 -0.377035
C 3.590573 0.984612 0.317141
C -1.073349 -3.295295 1.206121
C 3.568565 -1.144109 -0.877039
C -2.534725 4.514252 -1.073384
C -1.613097 3.406560 -3.039009
C -2.348091 4.484900 -2.455284
C -4.343174 -5.028667 0.307158
C -2.522464 -5.672798 1.954613
C 6.467426 0.930626 0.462501
C 6.445078 -1.287820 -0.772442
H -0.262118 0.100409 -1.645354
H -2.497399 -0.847911 -1.477673
H 1.661127 1.884905 0.681826
H 0.603184 -1.930660 1.338057
H 1.618968 -1.894329 -1.428820
H -0.523197 1.584967 -2.729052
H -1.767993 2.595781 3.091987
H -2.744222 4.372433 1.623373
H -3.785300 -2.858183 -0.875744
H 4.116046 1.807646 0.810260
H -0.649417 -3.965784 1.959835
H 4.076752 -2.001302 -1.328413
H -3.086241 5.338644 -0.604757
H -1.448258 3.388327 -4.122266
H -2.751348 5.281046 -3.090346
H -0.645725 0.606263 3.195349
H -4.237013 -5.150062 -0.791480
H -5.084436 -4.221934 0.486023
H -4.760240 -5.965241 0.711140
H -1.548693 -6.104499 1.640937
H -3.229653 -6.505149 2.101146
H -2.370129 -5.179614 2.937484
H 6.297803 1.903339 -0.045717
H 7.546865 0.712645 0.423056
H 6.185001 1.055020 1.528808
H 6.271824 -1.361620 -1.866891
H 6.146548 -2.255731 -0.318556
H 7.527457 -1.159874 -0.609843


