%chk=000181854.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181854

0 1
O 0.687719 -2.114927 -0.202072
O 0.474239 -1.403237 1.921176
O -4.573732 1.362044 -0.157952
N -2.884114 -0.163958 -0.339537
C 0.016815 0.176670 0.072123
C -1.029611 0.881251 0.970708
C -0.591293 -0.087344 -1.322671
C -2.365398 0.125189 1.021739
C -1.920508 -0.856047 -1.228689
C 1.279036 1.033475 0.025815
C 0.401154 -1.159499 0.737601
C 2.074701 1.139831 1.180792
C 1.650679 1.744666 -1.122494
C -3.935100 0.601763 -0.866940
C 3.222597 1.933359 1.179687
C 2.802052 2.539693 -1.120818
C 3.591420 2.635791 0.027283
C 1.124823 -3.429117 0.299747
C 1.362567 -4.235240 -0.957938
H -1.189820 1.911967 0.594828
H -0.634130 0.991308 2.001965
H 0.126384 -0.667716 -1.940280
H -0.752253 0.877944 -1.842471
H -2.250478 -0.838991 1.566796
H -3.125955 0.726666 1.578151
H -2.357424 -0.994351 -2.240064
H -1.738379 -1.879548 -0.819929
H 1.798656 0.597192 2.089693
H 1.048881 1.694298 -2.028976
H -4.177928 0.403839 -1.921874
H 3.831337 2.005405 2.080341
H 3.080869 3.086424 -2.020571
H 4.486947 3.254266 0.026684
H 2.035765 -3.268603 0.901936
H 0.318488 -3.827597 0.938815
H 1.730170 -5.241046 -0.719582
H 0.444133 -4.342665 -1.550004
H 2.104393 -3.751253 -1.609019


%chk=000181854-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181854

0 1
O 0.751447 -2.075691 -0.288642
O 0.217403 -1.470266 1.888144
O -5.022358 1.146052 0.074839
N -2.983798 0.039393 -0.311856
C -0.062095 0.199349 0.055912
C -1.068127 0.937504 0.998113
C -0.719633 0.039138 -1.344142
C -2.449787 0.249397 1.049021
C -2.093689 -0.661479 -1.252729
C 1.280379 0.979050 0.009078
C 0.284011 -1.180611 0.669759
C 1.997337 1.193460 1.217500
C 1.817930 1.498245 -1.194652
C -4.227182 0.517205 -0.680289
C 3.209527 1.914508 1.222411
C 3.031148 2.224816 -1.190320
C 3.731806 2.438398 0.016915
C 1.249586 -3.392127 0.226618
C 1.729040 -4.185710 -0.983355
H -1.181089 1.973504 0.627473
H -0.659879 0.985663 2.021621
H -0.062352 -0.540266 -2.014741
H -0.865738 1.047016 -1.777214
H -2.365419 -0.725662 1.568540
H -3.181008 0.868333 1.595688
H -2.574897 -0.686402 -2.247557
H -1.952598 -1.712819 -0.925667
H 1.612872 0.781375 2.157946
H 1.301889 1.341340 -2.146191
H -4.463222 0.287009 -1.746470
H 3.746277 2.066691 2.165509
H 3.427355 2.621652 -2.131928
H 4.671684 3.001417 0.019297
H 2.058624 -3.188956 0.951158
H 0.422281 -3.889264 0.764469
H 2.116499 -5.167334 -0.654913
H 0.904816 -4.360317 -1.696115
H 2.538662 -3.651712 -1.509230


