%chk=000203059.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203059

0 1
O -0.361351 1.031758 -2.682578
O -4.403635 0.288557 2.178617
N 2.272367 0.151649 0.444938
C 1.524891 -1.003409 -0.150553
C 0.859012 -0.571418 -1.486540
C 2.381699 -2.271955 -0.379475
C -0.001622 -1.724412 -2.034189
C 1.529946 -3.414850 -0.944698
C 0.832454 -2.992815 -2.245218
C 0.034050 0.728145 -1.313951
C 3.483365 0.559074 -0.337888
C 2.627440 -0.099863 1.880996
C 4.053271 1.864523 0.243953
C 3.186434 1.190586 2.505300
C 4.407746 1.696697 1.727077
C -1.182554 0.597983 -0.427888
C -1.060590 0.856127 0.950562
C -2.424011 0.230082 -0.956339
C -0.770484 2.395868 -2.886563
C -2.160293 0.740054 1.791847
C -3.549502 0.110168 -0.133541
C -3.400525 0.364899 1.233831
C -5.726821 -0.086806 1.729485
H 0.703560 -1.256946 0.573864
H 1.655872 -0.343632 -2.239285
H 2.850986 -2.585945 0.570206
H 3.213661 -2.051899 -1.073961
H -0.464919 -1.401681 -2.988123
H -0.840471 -1.934988 -1.343118
H 0.773660 -3.726115 -0.198355
H 2.164297 -4.302313 -1.125657
H 1.585100 -2.821929 -3.038484
H 0.185327 -3.811572 -2.610624
H 0.693706 1.551286 -0.948055
H 3.175433 0.722018 -1.393960
H 4.272482 -0.223275 -0.347288
H 3.360880 -0.925797 2.002861
H 1.703744 -0.404383 2.418733
H 3.306293 2.674918 0.129567
H 4.942194 2.172980 -0.334643
H 3.448960 1.008686 3.562819
H 2.398247 1.969607 2.506150
H 5.250388 0.988721 1.839020
H 4.755442 2.658210 2.147206
H -0.088797 1.147735 1.359464
H -2.509763 0.041091 -2.029543
H -1.627991 2.641809 -2.252516
H -1.050914 2.409533 -3.945865
H 0.065215 3.075639 -2.696840
H -2.089156 0.932355 2.858737
H -4.503494 -0.174447 -0.560616
H -6.297246 -0.066423 2.666990
H -5.711922 -1.093168 1.301589
H -6.111463 0.651883 1.020645


%chk=000203059-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203059

0 1
O -0.340393 1.031275 -2.785438
O -4.383069 0.441599 2.281953
N 2.298431 0.074817 0.432077
C 1.562472 -1.057374 -0.214070
C 0.871235 -0.638394 -1.543816
C 2.426591 -2.335091 -0.443845
C 0.021164 -1.811152 -2.098054
C 1.583887 -3.501066 -1.011741
C 0.874726 -3.080059 -2.318971
C 0.061447 0.682443 -1.404486
C 3.482794 0.584595 -0.302252
C 2.604518 -0.156982 1.864963
C 3.961798 1.920830 0.305982
C 3.061429 1.150862 2.547333
C 4.279123 1.753209 1.809570
C -1.142488 0.613752 -0.463960
C -1.004849 0.977994 0.902263
C -2.413795 0.190967 -0.918471
C -0.781875 2.419910 -2.912911
C -2.095008 0.907078 1.788756
C -3.523207 0.120036 -0.044909
C -3.359595 0.473916 1.317431
C -5.708618 0.003616 1.843231
H 0.753582 -1.326563 0.499444
H 1.653060 -0.419611 -2.302560
H 2.902559 -2.640436 0.508451
H 3.244425 -2.102189 -1.156018
H -0.452083 -1.488598 -3.043453
H -0.795379 -2.042055 -1.384677
H 0.820412 -3.800953 -0.263738
H 2.226976 -4.386081 -1.185483
H 1.636884 -2.881968 -3.101321
H 0.237711 -3.904783 -2.694078
H 0.757459 1.458574 -1.020214
H 3.212481 0.730117 -1.363691
H 4.334700 -0.143001 -0.274959
H 3.408707 -0.926167 2.003485
H 1.692062 -0.546105 2.355879
H 3.163270 2.678069 0.179037
H 4.854679 2.277287 -0.243565
H 3.308154 0.948212 3.607710
H 2.223992 1.876150 2.530405
H 5.150105 1.074797 1.926429
H 4.564421 2.723699 2.258134
H -0.024795 1.313427 1.262248
H -2.535559 -0.065845 -1.976822
H -1.681687 2.623752 -2.297989
H -1.021039 2.568808 -3.978445
H 0.022430 3.125164 -2.612499
H -1.996081 1.187260 2.842162
H -4.493380 -0.206309 -0.432330
H -6.339331 0.048572 2.743441
H -5.684263 -1.034284 1.456612
H -6.120597 0.676877 1.065872


