%chk=000185605.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185605

0 1
O 4.293748 -1.432896 0.274537
O -4.676088 2.189796 0.972668
O 5.763819 1.079234 0.090706
O -6.229757 -0.082070 0.035900
N 0.096085 -1.421822 -0.235915
C -0.535336 -0.203984 0.380245
C 0.090984 1.002909 -0.359156
C -0.648343 -2.673068 0.102534
C -2.048126 -0.208293 0.256542
C 1.538265 -1.525936 0.155645
C -2.021423 -2.589077 -0.583260
C 1.586879 0.996176 -0.236249
C -2.754704 -1.341802 -0.183539
C 2.263115 -0.214483 0.002129
C -2.751408 0.942321 0.639263
C 3.666656 -0.202106 0.104122
C -4.155304 -1.308949 -0.263725
C 2.308212 2.193418 -0.367593
C -4.149939 0.985406 0.563825
C -4.849976 -0.154901 0.102502
C 4.382443 1.001188 -0.058824
C 3.700474 2.202001 -0.288854
C 5.092525 -1.526142 1.486701
C -6.117614 2.343585 0.927399
C 6.502248 0.364416 -0.939030
H -0.293118 -0.124977 1.476966
H -0.338930 1.949446 0.020373
H -0.182791 0.949609 -1.438062
H -0.771272 -2.833671 1.195043
H -0.082080 -3.542659 -0.294985
H 2.006561 -2.277737 -0.527792
H 1.691232 -1.902402 1.193670
H -2.610869 -3.496668 -0.353011
H -1.880654 -2.578101 -1.688475
H -2.228450 1.828067 1.002668
H -4.700169 -2.182232 -0.612447
H 1.777033 3.127962 -0.543424
H 4.268599 3.124098 -0.400591
H -6.611103 -0.926931 -0.309243
H 5.584020 -2.496757 1.366013
H 4.429607 -1.517165 2.355403
H 5.820594 -0.707269 1.535886
H -6.594411 1.611789 1.587620
H -6.475310 2.232144 -0.101375
H -6.245656 3.367636 1.294512
H 6.351999 0.861129 -1.901253
H 6.187599 -0.684584 -0.979989
H 7.536636 0.465053 -0.595282


%chk=000185605-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185605

0 1
O 4.347886 -1.434434 0.375797
O -4.787351 2.142850 1.053349
O 5.865736 1.017564 -0.036290
O -6.315567 -0.165067 -0.082261
N 0.119080 -1.391006 -0.169887
C -0.537880 -0.185863 0.402683
C 0.089309 1.046957 -0.298223
C -0.621837 -2.649453 0.051433
C -2.060617 -0.219331 0.252077
C 1.531973 -1.491381 0.246898
C -1.965297 -2.585615 -0.693595
C 1.608269 1.027948 -0.219084
C -2.741272 -1.348419 -0.274168
C 2.290553 -0.190179 0.035494
C -2.818213 0.895377 0.675223
C 3.705400 -0.193946 0.122969
C -4.149902 -1.304560 -0.374546
C 2.356271 2.220615 -0.381521
C -4.227269 0.948171 0.578157
C -4.902767 -0.181653 0.030951
C 4.448464 0.996907 -0.097969
C 3.765039 2.208136 -0.332871
C 5.136346 -1.479206 1.629388
C -6.240342 2.382001 1.031555
C 6.531837 0.241809 -1.107918
H -0.307603 -0.108911 1.500794
H -0.294174 1.982226 0.150328
H -0.240000 1.032480 -1.355248
H -0.799362 -2.850280 1.139833
H -0.006939 -3.481063 -0.340579
H 2.018861 -2.297703 -0.330391
H 1.623700 -1.786238 1.327891
H -2.557055 -3.499234 -0.490365
H -1.758004 -2.559636 -1.781421
H -2.331771 1.775381 1.109216
H -4.681471 -2.179487 -0.777267
H 1.828420 3.165278 -0.557869
H 4.354438 3.119304 -0.475701
H -6.625923 -1.012791 -0.486103
H 5.579477 -2.486519 1.660798
H 4.473559 -1.331593 2.503303
H 5.925113 -0.706120 1.624471
H -6.779430 1.638517 1.642072
H -6.636227 2.359915 0.002442
H -6.352083 3.388525 1.464413
H 6.296352 0.678722 -2.097104
H 6.217921 -0.817646 -1.082994
H 7.610854 0.329351 -0.907363


