%chk=000210227.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210227

1 1
S 0.423033 -0.213714 -0.088648
N -0.829327 -2.498329 -0.012779
N -6.069945 1.693526 0.232865
C 5.053977 -1.078492 1.167769
C 3.506711 -1.131525 1.204523
C 5.663051 -0.109832 0.122607
C 2.891054 -1.670129 -0.122077
C 5.288857 1.376604 0.328689
C 1.392403 -1.754882 -0.093071
C 6.013869 2.321380 -0.656920
C 0.557146 -2.849556 -0.025819
C -1.110115 -1.144683 -0.021398
C 5.641021 3.809281 -0.464727
C -2.391804 -0.473955 0.031626
C 0.969830 -4.295483 0.015305
C -1.870403 -3.551343 -0.116239
C 6.366771 4.743759 -1.456414
C -3.520787 -0.978009 0.762817
C -2.547486 0.804202 -0.601030
C -4.881980 0.998513 0.175112
C -4.721192 -0.269816 0.836749
C -3.744915 1.515372 -0.542596
C -6.195506 3.016923 -0.412655
C -7.228303 1.137303 0.961747
H 5.408742 -0.783751 2.175391
H 5.445904 -2.101007 0.988854
H 3.098841 -0.123554 1.414706
H 3.180972 -1.782264 2.039351
H 5.380217 -0.420850 -0.905036
H 6.766164 -0.206481 0.165990
H 3.307210 -2.672259 -0.335626
H 3.209300 -1.021691 -0.960469
H 5.535161 1.674191 1.369363
H 4.192856 1.517875 0.217369
H 7.110590 2.201565 -0.538492
H 5.781041 2.018026 -1.699603
H 4.543425 3.928647 -0.577379
H 5.881314 4.113676 0.574325
H 2.054825 -4.372499 0.179500
H 0.743358 -4.822338 -0.930509
H 0.472007 -4.839976 0.837474
H -1.486267 -4.377626 -0.732067
H -2.763423 -3.133959 -0.601945
H -2.141481 -3.943082 0.878532
H 6.116271 4.486556 -2.502907
H 6.089331 5.800904 -1.293038
H 7.464334 4.663393 -1.345916
H -3.438711 -1.904781 1.336855
H -1.715352 1.225413 -1.177707
H -5.536119 -0.684901 1.434295
H -3.811670 2.472852 -1.064027
H -6.042481 2.948590 -1.506380
H -5.468031 3.739446 0.002731
H -7.205454 3.413553 -0.235988
H -7.025472 1.055664 2.046972
H -7.501403 0.137501 0.576149
H -8.095658 1.799056 0.826394


%chk=000210227-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210227

1 1
S 0.361029 -0.101509 0.240771
N -0.824113 -2.385334 -0.153417
N -6.210603 1.555579 0.354928
C 4.935858 -0.850778 1.555632
C 3.390668 -0.841562 1.454244
C 5.683871 -0.089417 0.432214
C 2.870843 -1.483610 0.134754
C 5.326972 1.411416 0.324472
C 1.375736 -1.603769 0.064155
C 6.196962 2.163872 -0.708190
C 0.569324 -2.708416 -0.115223
C -1.140689 -1.061709 0.032220
C 5.836973 3.661608 -0.837607
C -2.444236 -0.443634 0.090125
C 1.015748 -4.135558 -0.281635
C -1.831646 -3.416524 -0.503883
C 6.717821 4.404590 -1.864987
C -3.598531 -1.092533 0.642177
C -2.605443 0.913874 -0.344175
C -4.993862 0.912514 0.274301
C -4.828501 -0.441538 0.736018
C -3.831689 1.570535 -0.266493
C -6.347384 2.958608 -0.088384
C -7.391149 0.858310 0.904749
H 5.215544 -0.409604 2.532922
H 5.287657 -1.902600 1.578875
H 3.016141 0.198604 1.529125
H 2.965127 -1.393391 2.314737
H 5.511337 -0.580050 -0.548628
H 6.771969 -0.181972 0.620921
H 3.316870 -2.489464 0.021380
H 3.233808 -0.888671 -0.726316
H 5.446122 1.888335 1.319840
H 4.258013 1.534434 0.047958
H 7.265165 2.069105 -0.423364
H 6.097951 1.676505 -1.701167
H 4.769475 3.758095 -1.125504
H 5.936227 4.147002 0.154700
H 2.085662 -4.226170 -0.042515
H 0.881087 -4.496967 -1.318271
H 0.467504 -4.817579 0.392321
H -1.390210 -4.122612 -1.221885
H -2.699704 -2.931658 -0.973183
H -2.159537 -3.973326 0.390192
H 6.615601 3.960267 -2.873033
H 6.441823 5.472217 -1.937326
H 7.786007 4.351933 -1.583041
H -3.517981 -2.098541 1.064930
H -1.752064 1.445822 -0.781396
H -5.666308 -0.972166 1.194096
H -3.901014 2.596375 -0.635052
H -6.124508 3.065357 -1.166945
H -5.675797 3.628899 0.480339
H -7.380930 3.293686 0.079002
H -7.243711 0.586889 1.967640
H -7.618106 -0.060629 0.332425
H -8.266881 1.519867 0.842054


