%chk=000216195.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216195

0 1
O -0.259471 0.492696 0.955119
O 0.533813 3.161863 -2.963351
O -0.092100 4.437618 -1.231943
O 5.867353 -1.443554 -0.988788
O -4.855650 0.946155 2.196756
O 5.101444 -2.165362 1.533561
O -6.850178 -0.654880 1.259255
N 0.289579 1.019073 -1.197070
N 0.276352 -1.846676 -1.509707
C 0.984107 2.253873 -0.791781
C -0.809124 -1.162929 -0.759597
C 2.508054 2.198460 -1.016055
C -1.407578 -1.993426 0.397587
C -0.228481 0.161508 -0.218275
C 3.179548 1.031451 -0.345360
C -2.860422 -1.666194 0.608937
C 0.403317 3.409961 -1.615373
C 4.205797 0.358768 -1.036587
C 2.825689 0.626575 0.948035
C -3.205643 -0.498080 1.311285
C -3.856036 -2.514409 0.109490
C 4.852220 -0.705150 -0.414142
C 3.474049 -0.443748 1.573164
C -4.551725 -0.196432 1.508301
C -5.213195 -2.218469 0.303333
C 4.492528 -1.115683 0.894272
C -5.555787 -1.064213 0.999775
H 0.755601 2.464134 0.300200
H -1.627223 -0.909702 -1.492341
H 2.967018 3.139507 -0.635749
H 2.717575 2.189934 -2.109458
H -0.841821 -1.796245 1.339492
H -1.276862 -3.075734 0.204206
H 0.498922 0.669579 -2.136770
H -0.078789 -2.673059 -1.983501
H 1.022335 -2.150516 -0.886360
H 4.487400 0.662441 -2.040731
H 2.016582 1.132948 1.484179
H -2.431793 0.173710 1.701914
H -3.585965 -3.417154 -0.433418
H 3.198698 -0.759623 2.579678
H -5.979271 -2.883624 -0.085258
H 0.139387 3.882303 -3.525631
H 6.099885 -1.103708 -1.886513
H -5.845355 1.060543 2.276469
H 5.830852 -2.546142 0.968171
H -7.509332 -1.295490 0.900680


%chk=000216195-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216195

0 1
O -0.576917 0.866064 0.714673
O -0.382605 3.241210 -2.436264
O 1.477057 4.487385 -1.834193
O 6.546999 -1.314077 -0.389175
O -5.237588 0.872391 2.231044
O 5.435911 -2.100006 1.947403
O -7.074254 -1.039244 1.748691
N 0.526139 0.969347 -1.337155
N -0.363677 -1.380235 -2.158690
C 1.294989 2.161310 -1.015413
C -1.154434 -0.785739 -1.049757
C 2.826245 1.978596 -1.201596
C -1.604210 -1.783554 0.079237
C -0.378535 0.421035 -0.461291
C 3.453952 0.868038 -0.365563
C -3.054852 -1.621471 0.519223
C 0.842297 3.410126 -1.788113
C 4.676134 0.297270 -0.813196
C 2.909705 0.417826 0.863702
C -3.477573 -0.439747 1.185420
C -4.001506 -2.643620 0.256123
C 5.328175 -0.680030 -0.042644
C 3.566793 -0.568942 1.635000
C -4.820305 -0.290239 1.572974
C -5.355596 -2.498655 0.646767
C 4.779887 -1.123123 1.189490
C -5.758572 -1.322871 1.301294
H 1.074186 2.382577 0.050690
H -2.065983 -0.356947 -1.510960
H 3.295354 2.952342 -0.961816
H 3.035025 1.797045 -2.275244
H -0.931684 -1.653817 0.947770
H -1.459493 -2.809000 -0.309187
H 0.597163 0.474983 -2.239129
H -0.939343 -1.868689 -2.851922
H 0.408368 -1.974136 -1.830303
H 5.116044 0.627378 -1.764774
H 1.961508 0.820750 1.234487
H -2.756276 0.354182 1.406442
H -3.684456 -3.563253 -0.248836
H 3.147655 -0.916043 2.583904
H -6.080277 -3.297262 0.442080
H -0.636299 4.101683 -2.869950
H 6.927496 -0.951665 -1.224250
H -6.206940 0.791683 2.433994
H 6.274531 -2.354879 1.479890
H -7.693935 -1.783078 1.559223


