%chk=000257409.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257409

0 1
O 5.284378 1.014586 -0.214214
O -1.374937 2.172889 1.591893
O -5.611746 -0.261538 -0.781360
C 0.697911 -0.852564 0.257361
C -0.123230 0.230426 -0.506582
C 2.108587 -0.876167 -0.343826
C 2.825027 0.496521 -0.138864
C -1.576236 0.318020 0.063910
C -2.226211 -1.094511 -0.092312
C 0.585722 1.601549 -0.501645
C 2.054511 1.545617 -0.954674
C 0.018697 -2.228723 0.146217
C 3.130600 -1.909840 0.163154
C 4.251753 0.148768 -0.676724
C -1.427573 -2.179690 0.650227
C 4.499438 -1.321497 -0.245284
C -2.407625 1.321828 -0.771007
C -1.573112 0.741167 1.552778
C 2.918377 0.932507 1.330048
C -3.696960 -1.110786 0.350496
C -3.890475 1.343447 -0.397430
C -4.507871 -0.033408 -0.338815
H 0.753142 -0.571293 1.337121
H -0.204018 -0.099390 -1.572499
H 1.995924 -1.044995 -1.447066
H -2.204219 -1.342924 -1.185860
H 0.524937 2.047600 0.515075
H 0.034509 2.304764 -1.154814
H 2.112126 1.315368 -2.034383
H 2.521189 2.541947 -0.837732
H 0.591627 -2.976821 0.725962
H 0.041359 -2.582527 -0.902496
H 2.964966 -2.902014 -0.283830
H 3.063141 -2.043814 1.255022
H 4.327650 0.281996 -1.776842
H -1.907079 -3.166525 0.500224
H -1.447189 -2.004304 1.741290
H 5.222711 -1.364797 0.584742
H 4.953537 -1.895253 -1.068631
H -2.296785 1.095792 -1.848365
H -1.991716 2.343495 -0.621531
H -0.744560 0.263099 2.108611
H -2.533876 0.512455 2.045296
H 3.513818 1.848695 1.424978
H 1.926292 1.154764 1.743114
H 3.367725 0.159053 1.959777
H -3.786889 -0.978198 1.447223
H -4.148138 -2.103159 0.140429
H -4.453600 1.975167 -1.116393
H -4.023726 1.838874 0.588491
H 5.334547 1.026558 0.761623
H -1.419131 2.485186 2.514312


%chk=000257409-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257409

0 1
O 5.351056 1.036738 -0.592888
O -1.558947 2.227543 1.739158
O -5.617097 -0.308549 -1.134278
C 0.706782 -0.836648 0.326770
C -0.123938 0.282494 -0.394473
C 2.125469 -0.865878 -0.277406
C 2.879000 0.492651 -0.152482
C -1.615043 0.353092 0.123420
C -2.239398 -1.077727 -0.083073
C 0.616210 1.653606 -0.398066
C 2.073632 1.560064 -0.924222
C 0.014167 -2.216031 0.211163
C 3.150019 -1.920754 0.223765
C 4.246749 0.090104 -0.789757
C -1.459193 -2.179736 0.670616
C 4.534683 -1.344487 -0.228531
C -2.434774 1.355195 -0.742641
C -1.696153 0.760772 1.620927
C 3.113639 0.940012 1.314771
C -3.763222 -1.145384 0.218298
C -3.956224 1.343661 -0.431566
C -4.553401 -0.055845 -0.505425
H 0.798955 -0.588195 1.405874
H -0.198448 -0.043467 -1.460080
H 1.995538 -1.040160 -1.371807
H -2.122291 -1.290356 -1.169227
H 0.597254 2.086879 0.617776
H 0.059093 2.366801 -1.033481
H 2.059223 1.287757 -2.001187
H 2.563962 2.550455 -0.851946
H 0.577833 -2.968976 0.795298
H 0.050488 -2.544651 -0.849853
H 2.959089 -2.922034 -0.200698
H 3.101020 -2.020680 1.325402
H 4.136890 0.063613 -1.889700
H -1.937669 -3.161934 0.484635
H -1.517296 -2.008256 1.765814
H 5.239224 -1.276522 0.623975
H 5.023081 -1.975322 -0.990882
H -2.278310 1.100752 -1.810785
H -2.062245 2.379404 -0.584142
H -0.896185 0.260528 2.201770
H -2.671012 0.448466 2.049802
H 3.658659 1.902552 1.329285
H 2.167058 1.096790 1.858187
H 3.701018 0.200675 1.891891
H -3.940190 -1.038864 1.309197
H -4.171053 -2.129377 -0.076061
H -4.508966 2.004211 -1.122191
H -4.106302 1.738194 0.594557
H 5.622605 1.009489 0.359812
H -1.647740 2.484731 2.690878


