%chk=000207495.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207495

0 1
O -3.085173 -1.282479 1.605564
N -3.030208 2.381648 -0.432332
C -1.367808 -1.095669 -0.102790
C -1.332920 -2.262726 -1.154026
C -2.189358 0.083344 -0.676849
C 0.036363 -0.603676 0.218380
C -2.205010 1.321170 0.238195
C -2.735595 -2.813857 -1.433081
C -0.399414 -3.401290 -0.727850
C -2.032962 -1.674792 1.156712
C 0.944816 -0.369555 -0.791638
C 0.413948 -0.331139 1.572573
C 2.260782 0.107703 -0.506217
C 1.672081 0.126446 1.872624
C 2.634683 0.352584 0.840013
C -2.616981 3.739991 0.032505
C -4.485483 2.170176 -0.168946
C 3.215070 0.344787 -1.548004
C 3.955181 0.824266 1.126577
C 4.474032 0.798282 -1.245439
C 4.850112 1.040309 0.109220
H -0.936053 -1.827219 -2.107332
H -3.233325 -0.254371 -0.850011
H -1.793372 0.373037 -1.670103
H -2.585110 1.043555 1.245811
H -1.168087 1.696329 0.376494
H -2.713381 -3.546742 -2.247816
H -3.434067 -2.020237 -1.728934
H -3.171440 -3.316139 -0.562217
H -0.770863 -3.944207 0.147064
H 0.607622 -3.038851 -0.486768
H -0.290811 -4.136247 -1.534565
H -1.482772 -2.507195 1.627327
H 0.675426 -0.541433 -1.834183
H -0.309338 -0.469757 2.375281
H 1.956481 0.330546 2.904839
H -1.565222 3.908836 -0.249323
H -2.720931 3.912665 1.113293
H -3.217252 4.497060 -0.496751
H -5.063829 2.885629 -0.773522
H -4.769318 1.156740 -0.496722
H -4.785459 2.278949 0.883762
H 2.919315 0.159281 -2.579319
H 4.231310 1.007070 2.163893
H 5.205866 0.981588 -2.030917
H 5.856957 1.399092 0.315926


%chk=000207495-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207495

0 1
O -3.228795 -1.560589 1.457993
N -3.098428 2.399200 -0.357031
C -1.366556 -1.104450 -0.109464
C -1.343338 -2.304481 -1.170168
C -2.224004 0.074002 -0.673584
C 0.064887 -0.621635 0.214321
C -2.148207 1.378352 0.149076
C -2.752820 -2.744583 -1.633510
C -0.538556 -3.535655 -0.678496
C -2.020735 -1.695648 1.146608
C 1.026736 -0.441676 -0.789133
C 0.418938 -0.250441 1.559236
C 2.332955 0.075265 -0.507200
C 1.682911 0.251309 1.870844
C 2.677418 0.425255 0.855451
C -2.707627 3.770356 0.029952
C -4.503390 2.117745 0.008603
C 3.316518 0.256825 -1.537001
C 3.986671 0.938156 1.137982
C 4.584036 0.758594 -1.233966
C 4.923175 1.101936 0.115106
H -0.822770 -1.892468 -2.057924
H -3.273619 -0.263177 -0.711069
H -1.904024 0.295820 -1.709527
H -2.328056 1.154875 1.232675
H -1.129115 1.799391 0.073846
H -2.658134 -3.595099 -2.334016
H -3.292884 -1.939435 -2.159945
H -3.378655 -3.076092 -0.784939
H -1.088337 -4.096519 0.100247
H 0.448099 -3.252635 -0.271639
H -0.369186 -4.231760 -1.520402
H -1.352361 -2.341448 1.770551
H 0.795227 -0.690870 -1.831717
H -0.324333 -0.343478 2.359708
H 1.924431 0.527934 2.904252
H -1.684329 3.981830 -0.327856
H -2.732332 3.946590 1.136270
H -3.392672 4.497821 -0.442517
H -5.164690 2.864313 -0.467017
H -4.805597 1.120203 -0.350510
H -4.678849 2.147915 1.114253
H 3.058444 -0.006156 -2.570071
H 4.241720 1.201417 2.171624
H 5.327306 0.892388 -2.027621
H 5.921433 1.494303 0.338129


