%chk=000194342.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194342

0 1
O -2.307526 1.954220 1.570015
O 0.280810 -1.160106 -0.614613
O -2.917201 -2.305324 1.806509
O -3.241505 -0.386018 2.968550
O -4.792538 0.495000 -1.952692
O -3.366872 -1.305405 -1.908279
N 1.592443 0.694990 -0.147163
N 4.060527 0.569546 0.045792
N 2.728611 2.628949 0.401909
N -3.611014 0.143582 -0.073458
N 2.939612 -2.710151 -0.879620
N 4.957456 -1.698684 -0.500255
C 0.626778 1.743736 0.007820
C -0.821369 1.532298 -0.202426
C -1.492765 0.903472 1.028001
C 2.870893 1.321681 0.103236
C -2.409045 -0.301203 0.651781
C 1.336827 2.891439 0.348446
C 1.391743 -0.696827 -0.469953
C 2.665921 -1.366808 -0.560029
C 3.939304 -0.759143 -0.327486
C 0.809429 4.240509 0.630497
C 5.370322 1.234128 0.225009
C -2.915633 -0.951040 1.947129
C 4.318441 -2.862651 -0.832347
C -3.842368 -0.331940 -1.368643
C -3.415839 -3.085125 2.930852
C -5.318594 0.027612 -3.224970
H -0.989701 0.907324 -1.110288
H -1.319181 2.510510 -0.415176
H -0.751240 0.586417 1.796179
H -1.820313 -1.063149 0.044815
H -0.135513 4.195507 1.195601
H 0.619300 4.797568 -0.299976
H 1.522847 4.838438 1.221689
H -3.962899 1.075108 0.189607
H 5.306696 1.978439 1.042842
H 6.144824 0.485912 0.478121
H 5.672476 1.761272 -0.698241
H 2.229145 -3.388997 -1.098119
H -2.717115 1.661040 2.429371
H 4.833334 -3.796393 -1.035810
H -2.923805 -2.771119 3.856736
H -3.147091 -4.107769 2.644714
H -4.499967 -2.951522 2.998679
H -5.986011 -0.820092 -3.042052
H -4.499191 -0.256317 -3.894623
H -5.861742 0.906883 -3.588478


%chk=000194342-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194342

0 1
O -1.536691 1.332507 1.639225
O 1.044457 -1.763393 -0.412180
O -3.767113 -2.402616 1.478402
O -2.952068 -0.756121 2.899675
O -5.210739 1.231982 -1.384197
O -4.359275 -0.918041 -1.852489
N 1.952017 0.442455 -0.232800
N 4.358214 0.858814 0.048305
N 2.668262 2.613778 -0.010677
N -3.585982 0.383734 -0.048456
N 3.999401 -2.664440 -0.204617
N 5.731994 -1.207319 0.056567
C 0.793844 1.270654 -0.307303
C -0.599612 0.751319 -0.520947
C -1.254629 0.186142 0.755685
C 3.053300 1.335018 -0.057333
C -2.582706 -0.560993 0.447773
C 1.260765 2.580300 -0.162650
C 2.050010 -0.993167 -0.292658
C 3.429522 -1.382794 -0.186597
C 4.529871 -0.507743 -0.022856
C 0.457579 3.848250 -0.143417
C 5.473460 1.805947 0.232745
C -3.100333 -1.225905 1.738234
C 5.366608 -2.507891 -0.057509
C -4.372435 0.123839 -1.149838
C -4.365076 -3.096632 2.651183
C -6.095121 1.092292 -2.558880
H -0.602338 -0.039372 -1.290567
H -1.226181 1.583318 -0.887550
H -0.565174 -0.529293 1.245022
H -2.435624 -1.342735 -0.315761
H -0.545901 3.669891 0.277500
H 0.343703 4.278789 -1.157008
H 0.971804 4.600091 0.478067
H -3.629505 1.299641 0.406384
H 5.325660 2.384404 1.159909
H 6.404466 1.222823 0.287995
H 5.510177 2.511724 -0.613647
H 3.473396 -3.531484 -0.311801
H -1.867334 0.954527 2.501808
H 6.061806 -3.343269 -0.038725
H -3.575349 -3.371226 3.369875
H -4.848444 -3.986582 2.226950
H -5.098109 -2.437622 3.144948
H -6.755800 0.216342 -2.443418
H -5.500009 0.975113 -3.480630
H -6.677068 2.024743 -2.582538


