%chk=000218379.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218379

0 1
O -2.629498 -0.896042 1.298167
O -0.499838 0.959019 -2.691542
O 5.801584 -1.369219 0.704821
O 8.295185 0.813613 -0.464352
N -4.508933 1.164391 -0.840529
N -4.400107 0.058002 0.076621
N -0.848436 0.826943 -0.421385
N 5.587644 0.526799 -0.622065
N 8.539287 -1.071393 0.834454
C -3.150746 1.480356 -1.240072
C -2.259711 0.774968 -0.466290
C -3.006043 -0.130335 0.444546
C -5.492286 -0.175866 0.990649
C -5.461277 0.876202 -1.953843
C -2.886186 2.495929 -2.270261
C -5.490242 -1.398814 1.690055
C -6.537316 0.747405 1.163701
C -0.040958 0.828114 -1.569055
C 1.422240 0.727448 -1.276466
C -6.551642 -1.693901 2.545009
C -7.593764 0.426615 2.019710
C -7.608094 -0.790050 2.707349
C 2.283181 1.688819 -1.828916
C 1.943431 -0.327305 -0.515713
C 4.172268 0.556250 -0.824600
C 3.654605 1.615217 -1.602765
C 3.315292 -0.418282 -0.284097
C 6.286754 -0.423085 0.117044
C 7.820850 -0.146548 0.122542
C 10.007099 -0.971571 0.950136
H -5.114666 0.089639 -2.644670
H -6.434836 0.555457 -1.541008
H -5.623422 1.808591 -2.519961
H -2.220166 2.074257 -3.060818
H -3.783554 2.892998 -2.758983
H -2.332372 3.351157 -1.846134
H -0.443302 0.657190 0.502666
H -4.656642 -2.096409 1.576371
H -6.520385 1.710113 0.655272
H -6.554543 -2.637560 3.090634
H -8.408388 1.137280 2.155395
H -8.433910 -1.031819 3.372434
H 1.871920 2.493332 -2.443901
H 1.280031 -1.093778 -0.107107
H 4.313996 2.367769 -2.031820
H 3.717939 -1.245935 0.311707
H 6.137111 1.280671 -1.069802
H 8.080768 -1.853151 1.304630
H 10.387305 -0.087163 0.398465
H 10.306861 -0.865514 2.007014
H 10.491512 -1.868302 0.526666


%chk=000218379-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218379

0 1
O -2.385974 -0.930059 0.931801
O -0.253481 2.310510 -2.378513
O 5.760929 -1.133106 1.264952
O 8.311638 0.317010 -0.829114
N -4.569114 1.174112 -0.934987
N -4.353120 0.121722 0.014214
N -0.917661 0.711774 -0.806860
N 5.625670 0.333727 -0.601406
N 8.485788 -1.136539 1.018252
C -3.300243 1.526975 -1.481378
C -2.321389 0.784691 -0.828615
C -2.963870 -0.126811 0.128847
C -5.358228 -0.233531 0.965404
C -5.730017 0.984651 -1.841023
C -3.255576 2.536670 -2.591020
C -5.326755 -1.528470 1.542166
C -6.357450 0.698367 1.347449
C 0.040369 1.422509 -1.511661
C 1.473343 1.080511 -1.201707
C -6.304705 -1.884069 2.494365
C -7.339466 0.319893 2.287436
C -7.320070 -0.971052 2.864418
C 2.462947 1.670198 -2.032236
C 1.898392 0.232963 -0.143201
C 4.238488 0.558576 -0.766521
C 3.826087 1.414968 -1.823791
C 3.262382 -0.032311 0.080932
C 6.275296 -0.440665 0.330812
C 7.805011 -0.379539 0.111040
C 9.945199 -1.254109 1.033115
H -5.573667 0.136746 -2.536987
H -6.636552 0.799373 -1.245740
H -5.872378 1.911367 -2.416769
H -2.205511 2.800369 -2.786830
H -3.690311 2.133649 -3.526551
H -3.821032 3.447243 -2.319058
H -0.612162 -0.004434 -0.132979
H -4.534406 -2.225602 1.259890
H -6.337575 1.713668 0.937937
H -6.274575 -2.882346 2.944268
H -8.109378 1.041962 2.580947
H -8.080278 -1.258689 3.598359
H 2.126372 2.331880 -2.836242
H 1.181431 -0.228219 0.546409
H 4.576648 1.876683 -2.476812
H 3.582053 -0.682177 0.898003
H 6.282277 0.794944 -1.251736
H 7.903207 -1.629930 1.705239
H 10.346776 -0.638604 0.212298
H 10.361192 -0.891957 1.990747
H 10.259050 -2.302988 0.882343


