%chk=000178540.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178540

0 1
O 2.117670 -1.755121 1.115971
O 1.475128 -1.541246 -2.362978
O 3.418609 0.450212 -2.057647
O 4.839747 -0.046479 0.633740
O -2.737989 2.279942 -2.851247
O 0.495459 0.646299 0.902337
O 1.374218 1.064465 2.926453
N -0.115542 -1.810018 0.420285
N -2.626308 1.382925 -0.721547
C 1.347111 -1.880460 -0.050742
C 1.712526 -0.846161 -1.136779
C 3.204070 -0.473514 -0.982784
C 3.443982 0.198735 0.387299
C -3.265984 0.316814 0.084195
C 2.563412 -0.417880 1.483241
C -4.332234 -0.306467 -0.867192
C -2.281297 -0.742728 0.555781
C -0.991115 -0.847163 -0.013135
C -4.133209 0.355598 -2.237030
C -3.110531 1.466702 -2.034385
C -0.474306 -2.670304 1.449600
C -2.643650 -1.612068 1.581635
C 1.343296 0.537653 1.824622
C -1.733189 -2.590353 2.021974
C -1.775925 2.403237 -0.083063
H 1.526661 -2.931537 -0.406125
H 1.083783 0.088659 -1.108618
H 3.884614 -1.346495 -1.118312
H 3.289238 1.303599 0.321839
H -3.749954 0.770957 0.990228
H 3.134968 -0.659390 2.406672
H -4.232535 -1.402421 -0.935276
H -5.347724 -0.111593 -0.479089
H -0.659319 -0.152325 -0.817616
H -3.771778 -0.355104 -3.003081
H -5.071728 0.780374 -2.640106
H 0.285618 -3.386232 1.798975
H -3.625960 -1.538665 2.057004
H 1.903090 -1.041439 -3.108327
H 4.343099 0.790165 -2.026937
H -2.007115 -3.271453 2.831885
H 5.115317 0.357525 1.483455
H -0.974842 1.926318 0.535246
H -2.360565 3.077679 0.560563
H -1.277118 3.009159 -0.861886


%chk=000178540-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178540

0 1
O 2.144425 -1.860637 1.061139
O 0.883781 -0.950817 -2.261670
O 3.269518 0.372142 -2.220723
O 5.031775 -0.310258 0.189285
O -2.353702 2.433371 -2.627502
O 0.621140 0.429909 1.778254
O 2.525068 1.439675 2.709814
N -0.242043 -1.671263 0.594979
N -2.878194 1.352665 -0.595664
C 1.185479 -1.751233 0.007962
C 1.490011 -0.607331 -0.972757
C 3.021447 -0.508276 -1.076248
C 3.599381 0.031642 0.239659
C -3.516809 0.121223 -0.098953
C 2.833126 -0.569383 1.456931
C -4.228111 -0.462183 -1.375040
C -2.496207 -0.820161 0.544471
C -1.217172 -0.944390 -0.025873
C -3.521389 0.214173 -2.574775
C -2.858723 1.471895 -1.987455
C -0.491849 -2.368198 1.748866
C -2.773402 -1.533483 1.733482
C 1.891536 0.531543 2.065207
C -1.765825 -2.329949 2.324292
C -2.245768 2.326337 0.306868
H 1.211602 -2.707707 -0.549359
H 1.091712 0.354268 -0.595423
H 3.463158 -1.510023 -1.260150
H 3.480505 1.132917 0.270148
H -4.268226 0.370483 0.676836
H 3.542327 -0.908870 2.226892
H -4.173453 -1.562496 -1.400837
H -5.293512 -0.176558 -1.349613
H -0.935263 -0.438815 -0.951033
H -2.732076 -0.419868 -3.020149
H -4.210141 0.497539 -3.386146
H 0.367415 -2.872796 2.192608
H -3.758026 -1.449532 2.206531
H 1.359566 -0.406004 -2.945189
H 4.247180 0.477083 -2.331176
H -1.946687 -2.883342 3.248654
H 5.497826 0.176097 0.915614
H -1.412605 1.874655 0.880072
H -2.987920 2.742642 1.013744
H -1.849173 3.143716 -0.317476


