%chk=000203182.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203182

0 1
O 3.635940 0.137801 -1.153741
O -2.944530 -1.196920 -0.639383
O 1.701353 3.198358 0.860263
O 3.982204 1.966628 0.124413
N -7.111801 -0.712377 0.096257
N -2.474056 0.849559 0.320088
C -5.706115 -1.047658 -0.286566
C 7.188234 -1.024693 -0.536712
C 7.860818 -1.722322 0.653163
C 5.732253 -0.667798 -0.219751
C -7.488600 -1.331844 1.409626
C -8.083478 -1.014253 -0.994737
C -4.793975 0.060279 0.281721
C 9.319614 -2.084294 0.340803
C 5.069744 0.036337 -1.400731
C -8.697923 -0.608847 2.004038
C -8.197605 -2.482734 -1.410576
C -3.351960 -0.204340 -0.078126
C 9.993510 -2.778880 1.522092
C -1.066420 0.895315 0.131935
C 1.738894 1.082537 -0.182767
C 3.196115 1.172363 -0.335129
C -0.393297 2.039782 0.603207
C -0.349444 -0.146069 -0.495213
C 0.997998 2.114405 0.436027
C 1.025395 -0.042803 -0.645280
H -5.594753 -1.076933 -1.393372
H -5.366006 -2.041809 0.076528
H 7.233198 -1.678189 -1.429454
H 7.751524 -0.107671 -0.800097
H 7.819464 -1.068362 1.545963
H 7.297057 -2.635439 0.924686
H 5.680234 -0.011697 0.674811
H 5.155959 -1.576404 0.043593
H -7.699938 -2.420433 1.324152
H -6.625375 -1.230537 2.104241
H -9.078330 -0.638298 -0.664110
H -7.797041 -0.392568 -1.872935
H -5.141662 1.042930 -0.105411
H -4.919963 0.123623 1.383285
H 9.885053 -1.170036 0.073412
H 9.362877 -2.738826 -0.551572
H 5.477762 1.047517 -1.575571
H 5.085102 -0.559122 -2.330532
H -8.554287 0.479731 1.989191
H -9.616500 -0.818995 1.444492
H -8.864216 -0.912001 3.042957
H -7.248548 -2.879862 -1.787073
H -8.509460 -3.119436 -0.574803
H -8.939328 -2.607529 -2.207547
H 10.001242 -2.141414 2.413711
H 9.480109 -3.709295 1.789939
H 11.034075 -3.032576 1.291327
H -2.884708 1.664178 0.785969
H -0.926087 2.850381 1.084225
H -0.876309 -1.033259 -0.863615
H 1.585009 -0.850706 -1.134051
H 1.126577 3.885904 1.288342


%chk=000203182-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203182

0 1
O 3.594112 -0.461493 -1.147963
O -3.047945 -1.808407 0.218688
O 1.564647 3.086957 0.168164
O 3.890951 1.768413 -0.522743
N -7.237786 -0.526392 0.273861
N -2.508650 0.459681 0.535659
C -5.841191 -0.779201 -0.148801
C 7.363131 -1.088158 -0.536869
C 8.199948 -1.492468 0.697868
C 5.860420 -0.921729 -0.211240
C -7.756285 -1.564898 1.201209
C -8.148939 -0.160733 -0.841936
C -4.827821 -0.281846 0.920903
C 9.705611 -1.654693 0.387662
C 5.048907 -0.534482 -1.455395
C -9.041807 -1.141265 1.935668
C -8.461756 -1.280293 -1.872207
C -3.392064 -0.630601 0.530429
C 10.533608 -2.062341 1.625566
C -1.122347 0.486184 0.232267
C 1.675317 0.708687 -0.351887
C 3.129783 0.780909 -0.655982
C -0.456521 1.732821 0.344337
C -0.390017 -0.662952 -0.174489
C 0.922632 1.851636 0.059411
C 0.978249 -0.526799 -0.455456
H -5.655893 -0.233314 -1.093199
H -5.630127 -1.853671 -0.350982
H 7.490632 -1.854149 -1.330710
H 7.759638 -0.137673 -0.950560
H 8.070145 -0.729577 1.493337
H 7.807261 -2.444460 1.112431
H 5.730342 -0.140066 0.560819
H 5.460270 -1.867478 0.203881
H -7.925986 -2.541345 0.682107
H -6.969326 -1.755347 1.955671
H -9.094847 0.210751 -0.406674
H -7.693525 0.700545 -1.367842
H -4.979333 0.801715 1.081163
H -5.046604 -0.787394 1.880838
H 10.097121 -0.701674 -0.023153
H 9.834040 -2.413674 -0.411179
H 5.379147 0.442831 -1.852072
H 5.115097 -1.307006 -2.240440
H -8.891497 -0.170601 2.440748
H -9.902075 -1.044175 1.249209
H -9.309676 -1.896637 2.696926
H -7.538328 -1.661411 -2.345579
H -8.982256 -2.134156 -1.401983
H -9.116243 -0.888255 -2.672965
H 10.446345 -1.304413 2.426871
H 10.181473 -3.027044 2.037526
H 11.605753 -2.171241 1.378588
H -2.921110 1.356138 0.804003
H -1.017335 2.625270 0.658230
H -0.897112 -1.623946 -0.259961
H 1.551909 -1.401108 -0.771504
H 0.923511 3.786427 0.455336


