%chk=000254384.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254384

0 1
O 2.199951 3.376077 -0.494495
O 0.565825 2.402113 -1.700950
O -4.244909 0.650399 0.354673
O -1.197840 3.130307 1.045168
N 2.344593 -1.647864 -0.938150
N -1.351955 0.953509 0.406112
C 0.208371 -0.765006 -0.234445
C 0.062819 0.520823 0.680724
C 1.462433 -1.525206 0.263985
C 2.298005 -0.670927 1.274487
C 1.211686 1.536647 0.542715
C 2.541274 0.742768 0.677412
C 0.090189 0.075334 2.188081
C 1.457551 -0.508155 2.561245
C 0.429718 -0.616944 -1.771794
C 3.613515 -1.428198 1.573238
C -1.195149 -1.335308 -0.113048
C 1.473455 -1.695349 -2.138900
C 3.449580 -2.604584 -0.716376
C -2.088370 -0.247394 0.126407
C 4.366776 -1.909609 0.319787
C 1.222444 2.414975 -0.686396
C -1.676280 -2.617895 -0.309179
C -1.897209 2.229287 0.615103
C -3.473053 -0.472574 0.128934
C -3.066400 -2.828201 -0.283888
C -3.959062 -1.776455 -0.081302
C 2.339835 4.377377 -1.535416
C -5.684578 0.491974 0.338178
H 1.182192 -2.500917 0.719184
H 1.122443 2.261916 1.408168
H 3.025489 0.631563 -0.315749
H 3.248314 1.313894 1.301828
H -0.705736 -0.667014 2.381390
H -0.155481 0.945216 2.825774
H 1.981887 0.151159 3.276242
H 1.334640 -1.475339 3.079325
H 0.803123 0.390083 -2.032571
H -0.503618 -0.735185 -2.344867
H 3.384789 -2.303691 2.211869
H 4.283744 -0.784550 2.173217
H 1.001306 -2.677072 -2.334769
H 2.065821 -1.418739 -3.032336
H 3.997363 -2.769239 -1.666549
H 3.122611 -3.599823 -0.350275
H 4.851141 -1.039155 -0.167438
H 5.179011 -2.597302 0.615295
H -0.995245 -3.445634 -0.488008
H -2.965410 2.327106 0.353939
H -3.454543 -3.835698 -0.432578
H -5.027677 -1.970631 -0.081098
H 2.496077 3.891735 -2.503478
H 3.219043 4.941304 -1.209257
H 1.438933 4.999439 -1.555288
H -6.001399 -0.180486 1.140370
H -6.017134 0.145522 -0.644587
H -6.022699 1.519317 0.528736


%chk=000254384-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254384

0 1
O 2.129891 3.558732 -0.383935
O 0.531694 2.487329 -1.684924
O -4.290660 0.687749 0.280794
O -1.093652 3.194320 1.031168
N 2.203696 -1.985030 -0.843104
N -1.325481 0.960470 0.384463
C 0.240986 -0.762112 -0.209184
C 0.093451 0.535233 0.667893
C 1.453575 -1.577891 0.343219
C 2.351607 -0.680587 1.259610
C 1.262694 1.540897 0.518747
C 2.589849 0.680941 0.536446
C 0.137685 0.107561 2.181620
C 1.558885 -0.401489 2.562273
C 0.560196 -0.621504 -1.751833
C 3.666751 -1.456837 1.541081
C -1.178748 -1.318870 -0.116435
C 1.387967 -1.895643 -2.054189
C 3.397022 -2.790794 -0.631242
C -2.067087 -0.229093 0.096581
C 4.377771 -1.988912 0.267989
C 1.222129 2.524480 -0.640936
C -1.665375 -2.616766 -0.345363
C -1.812564 2.239546 0.608967
C -3.469363 -0.434461 0.064881
C -3.065031 -2.824895 -0.362377
C -3.957709 -1.745560 -0.169650
C 2.163424 4.642320 -1.392919
C -5.742251 0.480547 0.291387
H 1.106373 -2.451359 0.954133
H 1.256413 2.185966 1.413763
H 2.936803 0.476940 -0.491754
H 3.380321 1.259218 1.047756
H -0.617386 -0.681316 2.347480
H -0.157408 0.982354 2.787936
H 2.101117 0.343934 3.175330
H 1.485278 -1.324966 3.168548
H 1.167264 0.269663 -1.958639
H -0.361786 -0.541929 -2.349983
H 3.416440 -2.323979 2.190332
H 4.363276 -0.821379 2.124200
H 0.722120 -2.777521 -2.230745
H 2.022222 -1.774410 -2.953020
H 3.867986 -3.014061 -1.606573
H 3.169928 -3.773948 -0.142138
H 4.782670 -1.145108 -0.321945
H 5.232467 -2.629259 0.563148
H -0.975353 -3.451479 -0.504523
H -2.887280 2.343224 0.378932
H -3.469940 -3.828470 -0.530854
H -5.035416 -1.932046 -0.193791
H 2.423444 4.239160 -2.386561
H 2.933502 5.338352 -1.031343
H 1.177372 5.133068 -1.447245
H -6.039771 -0.226064 1.089667
H -6.100427 0.111958 -0.688844
H -6.169381 1.473477 0.494103


