%chk=000118328.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000118328

0 1
O -1.345080 -1.067038 -0.446518
O -0.676498 1.055392 -0.017071
O -3.364019 -1.116253 2.356040
O -4.182200 -3.060565 0.616713
O -2.105517 -4.562154 -0.837876
O -4.303802 2.859957 0.569292
O 3.481962 -1.316210 -0.086434
O 5.339169 -2.489471 -0.093036
N -3.339819 1.116224 -0.546224
C -2.865839 0.490175 0.703029
C -3.778811 -0.718014 1.043568
C -3.581226 -1.883548 0.044199
C -2.085633 -2.257272 -0.094744
C -1.414609 -0.032546 0.561444
C -1.808319 -3.230257 -1.252804
C -3.956257 2.387330 -0.495550
C 0.689116 0.942219 -0.174920
C 1.415231 -0.229543 -0.037155
C 1.294987 2.183808 -0.511415
C -4.194329 3.020902 -1.833828
C 2.809300 -0.149328 -0.233184
C 3.463010 1.064829 -0.562807
C 2.660793 2.226359 -0.699786
C 4.902505 1.041360 -0.740222
C 5.574925 -0.132899 -0.591065
C 5.624027 2.299626 -1.081717
C 4.929900 -1.376313 -0.261420
H -2.922671 1.229346 1.559000
H -4.845161 -0.403539 1.102043
H -4.046703 -1.653306 -0.936575
H -1.699137 -2.668653 0.868413
H -0.961499 -0.382121 1.510291
H -0.725985 -3.261168 -1.498785
H -2.382398 -2.985860 -2.162803
H -2.855975 0.804472 -1.390594
H -3.631481 -2.057103 2.521660
H -5.155773 -3.043905 0.493057
H -3.011874 -4.601294 -0.439793
H 0.954108 -1.195334 0.172101
H 0.669890 3.068833 -0.606471
H -4.796113 3.938077 -1.713690
H -3.256089 3.316800 -2.323451
H -4.741689 2.365745 -2.524369
H 3.137932 3.174698 -0.956981
H 6.657654 -0.201635 -0.713935
H 6.709989 2.153681 -1.186508
H 5.483748 3.068537 -0.305930
H 5.270063 2.722359 -2.034790


%chk=000118328-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118328

0 1
O -1.393633 -0.974849 -0.719327
O -0.571465 1.168858 -0.220944
O -3.035111 -1.044160 2.372529
O -4.259859 -2.941491 0.628590
O -2.428573 -4.560264 -0.775275
O -5.137104 2.112326 0.577729
O 3.577765 -1.369010 -0.070464
O 5.517947 -2.617327 0.014897
N -3.306464 1.250776 -0.556819
C -2.746513 0.597347 0.635692
C -3.617458 -0.599224 1.101283
C -3.571821 -1.746621 0.070698
C -2.118336 -2.175576 -0.227920
C -1.335162 0.072310 0.322486
C -2.018664 -3.261954 -1.310938
C -4.449710 2.029656 -0.488199
C 0.829913 1.044560 -0.318929
C 1.528293 -0.164873 -0.145896
C 1.513464 2.254845 -0.614001
C -4.824843 2.770702 -1.766863
C 2.934344 -0.144039 -0.254284
C 3.661428 1.049658 -0.545792
C 2.908653 2.247032 -0.726043
C 5.115710 0.974177 -0.647501
C 5.740797 -0.245120 -0.460664
C 5.920942 2.217450 -0.954407
C 5.033305 -1.484745 -0.164223
H -2.705974 1.316014 1.475253
H -4.655466 -0.241950 1.249145
H -4.058369 -1.424399 -0.871616
H -1.644033 -2.548388 0.703917
H -0.865846 -0.339253 1.238750
H -0.968477 -3.373965 -1.625444
H -2.625498 -2.973168 -2.196880
H -2.725899 1.258540 -1.398279
H -3.454447 -1.913611 2.604616
H -5.241070 -2.812799 0.585566
H -3.271548 -4.415240 -0.262281
H 1.023064 -1.116874 0.025896
H 0.931988 3.172218 -0.737726
H -5.873530 2.544734 -2.023846
H -4.762816 3.857562 -1.582252
H -4.180713 2.520119 -2.627180
H 3.431048 3.182313 -0.949110
H 6.828025 -0.339723 -0.528952
H 6.998540 1.992285 -0.994880
H 5.761844 2.996262 -0.184987
H 5.625134 2.654283 -1.926724


