%chk=000207305.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207305

0 1
O -0.882401 1.113836 -0.198971
O 0.108068 -0.400356 -1.535616
N -4.246816 -0.136200 -1.080595
C 1.368415 0.621238 0.370313
C 0.852703 0.351763 1.830984
C 1.681150 2.132921 0.184576
C 0.416789 -1.119560 2.004318
C 2.579472 -0.251628 0.069222
C 1.893040 0.730826 2.886831
C 0.194553 0.339664 -0.584465
C 2.086604 2.489925 -1.241068
C -0.468367 -1.316036 3.232556
C 3.866906 0.207638 0.400260
C 2.449177 -1.532200 -0.489920
C -2.112609 1.024284 -0.979549
C -2.827596 -0.291507 -0.639047
C 4.990599 -0.590610 0.176758
C 3.575168 -2.329571 -0.715223
C 4.849487 -1.864436 -0.381734
C -4.765195 -1.355473 -1.764437
C -5.121901 0.332585 0.043867
C -4.849999 -2.625603 -0.913626
C -6.421042 0.919633 -0.509886
H -0.048545 1.004963 1.975339
H 0.786388 2.722424 0.477854
H 2.484135 2.429828 0.889668
H 1.311970 -1.769846 2.076024
H -0.130504 -1.469163 1.106880
H 2.791424 0.104506 2.818430
H 1.485767 0.597933 3.896623
H 2.207322 1.776032 2.798483
H 2.927990 1.877715 -1.592818
H 2.391340 3.539987 -1.313031
H 1.264790 2.341404 -1.952699
H -1.378820 -0.708458 3.177289
H -0.775732 -2.363411 3.331738
H 0.054022 -1.041371 4.156555
H 3.997895 1.199154 0.834324
H 1.467591 -1.915590 -0.779351
H -1.870646 1.104152 -2.052151
H -2.655911 1.921993 -0.635943
H -2.712185 -0.517724 0.442021
H -2.324924 -1.125815 -1.179548
H 5.979308 -0.217707 0.437539
H 3.453964 -3.317525 -1.156906
H 5.724261 -2.485964 -0.557539
H -5.772435 -1.104071 -2.167071
H -4.115895 -1.536360 -2.651335
H -5.349321 -0.473126 0.775341
H -4.573344 1.124259 0.601980
H -3.870047 -2.926040 -0.527691
H -5.515884 -2.494555 -0.053519
H -5.238264 -3.464532 -1.501692
H -6.216398 1.633517 -1.319382
H -7.077723 0.145641 -0.922230
H -6.976392 1.448518 0.271270


%chk=000207305-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207305

0 1
O -0.915799 1.089579 0.055551
O 0.151578 -0.211683 -1.540673
N -4.282097 -0.213316 -1.091632
C 1.435792 0.651191 0.448557
C 1.018403 0.370697 1.966249
C 1.748053 2.186870 0.284470
C 0.430988 -1.054180 2.175451
C 2.620007 -0.250139 0.031379
C 2.177191 0.635835 2.955468
C 0.200943 0.413076 -0.456900
C 1.993859 2.651817 -1.167215
C -0.314428 -1.222311 3.518429
C 3.959409 0.213492 0.122853
C 2.423435 -1.599182 -0.372055
C -2.170475 1.015574 -0.752642
C -2.935362 -0.296722 -0.482990
C 5.055674 -0.626684 -0.174786
C 3.514659 -2.443152 -0.669976
C 4.840533 -1.963725 -0.573885
C -4.692235 -1.411596 -1.864365
C -5.303562 0.350122 -0.174918
C -5.004657 -2.686469 -1.033323
C -6.570273 0.841168 -0.900042
H 0.205523 1.093239 2.179047
H 0.892668 2.743109 0.709889
H 2.625622 2.444567 0.903151
H 1.242648 -1.803979 2.104125
H -0.282142 -1.281213 1.357585
H 3.020284 -0.056148 2.779906
H 1.830045 0.492183 3.993899
H 2.560453 1.668901 2.885885
H 2.819777 2.091343 -1.638719
H 2.253915 3.726021 -1.185789
H 1.097143 2.514275 -1.798010
H -1.127410 -0.477520 3.615255
H -0.767473 -2.228272 3.592239
H 0.359607 -1.101015 4.385427
H 4.166170 1.243634 0.429596
H 1.409738 -1.991840 -0.482458
H -1.923248 1.098803 -1.824215
H -2.750045 1.892250 -0.422654
H -2.969995 -0.478862 0.616753
H -2.372036 -1.131677 -0.935768
H 6.075437 -0.232676 -0.095302
H 3.326077 -3.476052 -0.984406
H 5.687709 -2.617750 -0.809202
H -5.575971 -1.146478 -2.473974
H -3.879697 -1.633107 -2.581636
H -5.591283 -0.375200 0.627456
H -4.839426 1.211332 0.343033
H -4.132918 -2.991524 -0.425246
H -5.860587 -2.530848 -0.351457
H -5.259092 -3.526946 -1.705668
H -6.299756 1.550085 -1.702454
H -7.139721 0.009234 -1.351915
H -7.242250 1.353769 -0.187382


