%chk=000187573.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187573

0 1
O -1.652794 1.778257 0.397350
O -2.052034 -1.803319 -2.828113
O -1.362257 0.625619 -2.190337
O 1.582608 -3.283199 1.067478
O -0.599334 -0.706696 2.993847
O -3.914655 1.822776 0.463695
O 4.758994 -0.625623 -0.558951
N 0.787750 0.584267 -0.036268
N 2.307728 -1.269129 0.315824
N 2.983946 0.810580 -0.797715
C -0.259044 -0.154683 0.682521
C -0.156480 -1.689793 0.434467
C -1.939923 -1.579701 -1.417519
C -1.676774 0.327826 0.262615
C -0.542568 -2.080936 -0.996238
C -2.096405 -0.046073 -1.165920
C 1.267011 -2.192285 0.665685
C -0.166727 0.122978 2.230996
C -3.076299 -2.379216 -0.796569
C 1.977311 0.028743 -0.151628
C 0.408765 1.429178 2.649940
C -2.874396 2.433271 0.469168
C -2.618929 3.894047 0.556067
C 4.343836 0.431269 -0.986118
C 5.155779 1.442290 -1.729199
H -0.826535 -2.218023 1.170538
H -2.437937 -0.072060 0.983668
H 0.197656 -1.691392 -1.725673
H -0.509131 -3.185686 -1.112223
H -3.151668 0.278148 -1.360613
H -3.067746 -3.412250 -1.177098
H -3.018242 -2.422779 0.294716
H -4.056989 -1.969069 -1.074439
H -1.661920 -1.041808 -3.334215
H 3.297279 -1.591780 0.336788
H -0.496434 0.959025 -1.842527
H 1.504529 1.438578 2.555405
H 0.033547 2.250149 2.011039
H 0.167642 1.660358 3.697735
H 2.657920 1.728984 -1.133014
H -1.544769 4.138930 0.529780
H -3.043794 4.313241 1.482425
H -3.099614 4.420299 -0.286454
H 6.194772 1.080300 -1.844946
H 5.216506 2.409487 -1.208339
H 4.775419 1.631902 -2.744631


%chk=000187573-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187573

0 1
O -1.775565 1.827775 0.462532
O -1.979100 -1.738030 -2.939477
O -1.084472 0.708641 -2.165349
O 1.560055 -3.216783 1.261039
O -0.879337 -0.361630 2.994579
O -4.100127 1.650272 0.585122
O 4.761301 -0.705797 -0.479453
N 0.742396 0.612938 -0.171159
N 2.258400 -1.171948 0.399042
N 2.965298 0.739541 -0.870577
C -0.281195 -0.087343 0.655587
C -0.171259 -1.637574 0.470110
C -1.897004 -1.527832 -1.484701
C -1.701631 0.356763 0.221177
C -0.520536 -2.058587 -0.992064
C -2.001417 0.015032 -1.246059
C 1.252894 -2.100261 0.781781
C -0.162459 0.276148 2.184386
C -3.079113 -2.297042 -0.878496
C 1.931724 0.050030 -0.192216
C 0.764448 1.393988 2.603278
C -3.071462 2.358753 0.611661
C -3.007677 3.858349 0.781419
C 4.305170 0.351884 -1.012667
C 5.164554 1.276191 -1.854701
H -0.842310 -2.134749 1.190439
H -2.447707 -0.132927 0.871743
H 0.253984 -1.681528 -1.687153
H -0.514443 -3.160223 -1.063613
H -3.023093 0.341317 -1.505905
H -3.072995 -3.327785 -1.272288
H -3.032192 -2.346290 0.223740
H -4.034751 -1.827355 -1.167332
H -1.471224 -0.980080 -3.346249
H 3.256237 -1.458032 0.384557
H -0.262049 0.955969 -1.628401
H 1.821175 1.086067 2.484075
H 0.607188 2.271354 1.952048
H 0.585557 1.646964 3.659634
H 2.655885 1.627432 -1.274903
H -2.203882 4.140032 1.481042
H -3.976520 4.231925 1.143052
H -2.781811 4.328111 -0.192963
H 6.136408 1.416444 -1.354967
H 4.703482 2.260710 -2.039707
H 5.364776 0.794165 -2.828644


