%chk=000206646.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206646

0 1
O -2.638900 0.602940 1.738790
O -4.297599 -2.704713 -1.034661
O -0.105438 3.776036 1.245973
O 1.097354 3.124462 -0.530356
N -0.023732 0.433106 0.091420
N -2.136971 -2.021474 -1.438227
N 0.177801 -1.067817 -1.625525
N -3.480911 -1.035865 0.348652
N 4.190088 -1.194308 1.617695
C -1.252535 -0.256588 -0.002487
C -1.096691 -1.174417 -1.073274
C 0.811396 -0.084605 -0.905496
C 2.192812 0.389277 -1.186602
C -2.451628 -0.137579 0.791168
C 0.244889 1.461761 1.093498
C -3.378954 -1.971046 -0.726672
C 3.111058 0.248293 -0.009685
C -1.965974 -2.980065 -2.557022
C -4.791870 -1.003420 1.055250
C 0.476506 2.821880 0.460344
C 3.763037 1.363695 0.533431
C 3.356638 -1.018272 0.564005
C 4.626859 1.190295 1.617352
C 4.815536 -0.102886 2.132138
H 2.145539 1.454873 -1.539940
H 2.607419 -0.179216 -2.058634
H 1.144861 1.191439 1.707316
H -0.627047 1.520543 1.821295
H -2.904111 -3.544378 -2.722161
H -1.154330 -3.693820 -2.328203
H -1.703548 -2.440579 -3.484911
H -4.679310 -0.499102 2.033642
H -5.167351 -2.029387 1.219589
H -5.536904 -0.451915 0.456719
H 3.600329 2.357040 0.109229
H 2.872354 -1.922360 0.170326
H 5.149722 2.039260 2.052647
H 5.484867 -0.288865 2.980558
H 0.017938 4.703277 0.893821


%chk=000206646-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206646

0 1
O -2.736826 0.585024 1.772819
O -4.360124 -2.751785 -1.141741
O 0.542228 3.762660 1.520300
O 0.326040 3.124412 -0.706737
N -0.091924 0.401253 0.133560
N -2.154744 -2.017274 -1.472470
N 0.127117 -1.060070 -1.606828
N -3.531403 -1.086773 0.285740
N 4.089428 -1.076551 1.837324
C -1.315840 -0.281348 0.013314
C -1.143539 -1.164678 -1.059660
C 0.745565 -0.096002 -0.866282
C 2.141862 0.388321 -1.138715
C -2.529480 -0.184972 0.777727
C 0.169848 1.445525 1.126902
C -3.402752 -2.000695 -0.803541
C 3.107864 0.286144 0.040087
C -1.943565 -2.938872 -2.606276
C -4.847157 -1.096495 0.966922
C 0.342446 2.827613 0.504869
C 3.950954 1.366116 0.399311
C 3.222864 -0.911187 0.795967
C 4.857547 1.215047 1.472359
C 4.892260 -0.018566 2.161494
H 2.100444 1.433953 -1.498372
H 2.508780 -0.225113 -1.981237
H 1.071044 1.211438 1.720587
H -0.694453 1.476305 1.817975
H -2.870877 -3.513010 -2.745192
H -1.102624 -3.618121 -2.388623
H -1.708549 -2.367086 -3.519454
H -4.808435 -0.341345 1.765277
H -5.047508 -2.094854 1.388832
H -5.645800 -0.859754 0.245505
H 3.900065 2.309802 -0.157556
H 2.596212 -1.779512 0.556169
H 5.522143 2.031760 1.770960
H 5.578912 -0.179063 3.000166
H 0.635174 4.673254 1.129518


