%chk=000181181.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181181

0 1
O 2.678028 -3.064304 0.127683
O 1.141404 1.346094 -1.922548
O 0.041568 3.206553 -0.512428
N 1.559056 -2.327848 1.981055
C -0.834052 -2.282702 -0.619040
C -1.564463 -1.907784 -1.915936
C -0.209589 -3.680704 -0.708264
C -1.888129 -0.408292 -1.983895
C 0.531813 -4.082620 0.574785
C -2.825238 0.043972 -0.903843
C 1.681147 -3.126169 0.828217
C -3.719897 1.740306 0.706910
C -2.762702 1.261078 -0.356793
C 2.468344 -1.166125 2.159525
C 1.881858 0.056899 1.492479
C -4.668500 2.791818 0.113096
C -2.939814 2.312666 1.900108
C 1.887900 0.114587 0.081872
C 1.298648 1.074516 2.240708
C 1.266113 1.173989 -0.564162
C 0.682995 2.164459 1.598107
C 0.652036 2.208849 0.209462
C 1.817078 0.379776 -2.768898
H -0.050629 -1.526922 -0.405130
H -1.536603 -2.225074 0.233712
H -0.944552 -2.179454 -2.792804
H -2.493799 -2.501553 -2.009794
H 0.498016 -3.722786 -1.563154
H -0.992555 -4.433648 -0.923943
H -0.944829 0.183890 -1.956412
H -2.345147 -0.175156 -2.969606
H -0.170616 -4.146236 1.426233
H 0.951292 -5.105473 0.457545
H -3.575915 -0.686997 -0.605643
H -4.337484 0.882249 1.076679
H -2.006650 1.989626 -0.660157
H 0.649508 -2.225071 2.425239
H 3.467443 -1.413235 1.718408
H 2.632436 -1.011094 3.248261
H -4.122182 3.660808 -0.268598
H -5.239988 2.375677 -0.724242
H -5.382795 3.151052 0.860213
H -3.609630 2.547021 2.733574
H -2.193258 1.594921 2.260151
H -2.411946 3.232768 1.633749
H 2.375141 -0.689200 -0.476245
H 1.306528 1.040295 3.327861
H 0.230213 2.955871 2.188889
H -0.351975 3.891172 0.085536
H 1.576603 0.760977 -3.769619
H 1.400469 -0.620748 -2.614525
H 2.895802 0.402306 -2.588575


%chk=000181181-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181181

0 1
O 2.367752 -2.973009 -0.279372
O 0.841081 2.141781 -1.339548
O 0.500474 3.954388 0.602326
N 1.785397 -2.204490 1.839342
C -1.111233 -2.569095 -0.707072
C -2.081698 -2.582731 -1.909055
C -0.461005 -3.947499 -0.452504
C -2.539899 -1.167423 -2.360510
C 0.416462 -3.991858 0.823348
C -3.277789 -0.382795 -1.293149
C 1.601412 -3.022081 0.734750
C -3.656692 1.643929 0.225314
C -2.908316 0.836983 -0.821775
C 2.832739 -1.159850 1.889581
C 2.281375 0.227133 1.577853
C -4.195363 2.964438 -0.389732
C -2.736446 1.952446 1.436624
C 1.870242 0.525336 0.251088
C 2.123935 1.202420 2.584170
C 1.286859 1.768902 -0.066946
C 1.541014 2.455436 2.275323
C 1.112530 2.743002 0.964647
C 1.103640 1.203817 -2.436186
H -0.312497 -1.821571 -0.890756
H -1.651534 -2.225381 0.198031
H -1.591395 -3.084943 -2.768479
H -2.972158 -3.195419 -1.656272
H 0.172919 -4.217967 -1.318567
H -1.247773 -4.724088 -0.368598
H -1.656378 -0.586955 -2.694644
H -3.195633 -1.283948 -3.249491
H -0.200174 -3.779529 1.719239
H 0.830610 -5.012035 0.944831
H -4.188040 -0.856735 -0.887761
H -4.521092 1.044625 0.578954
H -1.995562 1.315878 -1.216959
H 1.075933 -2.206971 2.574405
H 3.590936 -1.460773 1.145060
H 3.300153 -1.173482 2.891207
H -3.359306 3.582976 -0.768178
H -4.879423 2.761746 -1.233313
H -4.741382 3.557352 0.368681
H -3.278713 2.540367 2.201969
H -2.368657 1.022297 1.906621
H -1.857966 2.539403 1.109030
H 2.009858 -0.238585 -0.520413
H 2.447978 0.993154 3.610232
H 1.415229 3.211645 3.061593
H 0.446615 4.555736 1.386972
H 0.714840 1.703249 -3.335499
H 0.576305 0.242231 -2.282576
H 2.188337 1.013541 -2.548031


