%chk=000189685.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189685

0 1
O 0.273017 -1.235866 -0.705472
O 1.211451 -2.499252 0.969224
O 4.730612 -1.968691 0.114302
O -4.194314 -2.506726 0.252271
O -5.808359 -0.858839 -0.309798
O 5.989500 0.044097 0.089693
N -0.165554 2.251874 0.543708
C -0.451467 0.785361 0.447980
C 0.448030 0.217746 -0.689232
C -1.907711 0.427043 0.201720
C 1.930780 0.421932 -0.475522
C -0.965569 3.033060 -0.441913
C -2.858039 1.392830 -0.145063
C -2.483639 2.838700 -0.308682
C 2.534733 -0.863220 -0.266360
C 1.475398 -1.931642 -0.291877
C -2.264806 -0.941599 0.350412
C -0.353734 2.751640 1.937855
C 3.887406 -0.893486 -0.090913
C 2.658184 1.592203 -0.487736
C -4.226375 1.052996 -0.339079
C -3.586192 -1.258018 0.159504
C -4.558809 -0.269201 -0.178848
C 4.644361 0.330583 -0.109401
C 4.069526 1.562501 -0.298787
C 6.083174 -1.409471 0.236293
C -5.608694 -2.289852 -0.051492
H -0.130939 0.297920 1.408571
H 0.100907 0.540221 -1.693396
H -0.632253 2.724444 -1.458470
H -0.703244 4.107423 -0.339153
H -2.990877 3.270760 -1.195721
H -2.869444 3.411772 0.561226
H 1.601650 -2.793665 -0.972704
H -1.507266 -1.700447 0.566839
H -0.148489 3.833276 1.968731
H 0.387218 2.263696 2.592372
H -1.356892 2.577505 2.355869
H 2.159826 2.554041 -0.622926
H -4.964791 1.803118 -0.602933
H 4.654055 2.478587 -0.306307
H 1.067562 -1.823269 1.662281
H 6.681676 -1.797028 -0.598791
H 6.444213 -1.625554 1.250610
H -6.190959 -2.552871 0.840914
H -5.844461 -2.832932 -0.976002


%chk=000189685-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189685

0 1
O 0.302091 -1.109349 -0.993747
O 1.158885 -2.606997 0.730357
O 4.680535 -2.104830 0.128550
O -4.170538 -2.550056 0.543961
O -5.862427 -0.974542 -0.092241
O 6.026216 -0.138185 0.415094
N -0.257736 2.376956 0.424980
C -0.447971 0.902340 0.359208
C 0.500746 0.351853 -0.768443
C -1.917611 0.466380 0.198474
C 1.979135 0.476480 -0.435407
C -1.079422 3.091929 -0.584705
C -2.926457 1.405244 -0.163794
C -2.596129 2.878885 -0.377738
C 2.534823 -0.830128 -0.321595
C 1.460817 -1.878395 -0.499440
C -2.258255 -0.899041 0.449259
C -0.375553 2.929101 1.792861
C 3.896987 -0.939245 -0.050936
C 2.761720 1.633441 -0.254448
C -4.286900 0.992133 -0.296455
C -3.590877 -1.271761 0.309224
C -4.589505 -0.345759 -0.059900
C 4.684771 0.222096 0.117501
C 4.152497 1.512374 0.031559
C 6.083531 -1.609611 0.217503
C -5.567158 -2.426206 0.059907
H -0.067436 0.482120 1.311846
H 0.240852 0.838724 -1.725831
H -0.792070 2.727915 -1.589087
H -0.826266 4.167473 -0.542944
H -3.154616 3.273202 -1.248571
H -2.936817 3.464374 0.501143
H 1.655535 -2.677324 -1.229277
H -1.490788 -1.632136 0.706818
H -0.201136 4.019915 1.759030
H 0.403143 2.481523 2.436056
H -1.364390 2.751659 2.276823
H 2.289865 2.616273 -0.323565
H -5.065761 1.709561 -0.571864
H 4.786015 2.391508 0.173244
H 1.219591 -1.989318 1.505341
H 6.600276 -1.828190 -0.736119
H 6.569944 -2.072300 1.089394
H -6.248374 -2.852121 0.811983
H -5.653380 -2.914265 -0.930210


