%chk=000194526.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194526

0 1
O -4.143594 1.282043 0.223072
N 1.930806 -1.307509 -1.793685
C 0.694277 0.862691 -0.249552
C 1.826931 -0.035786 0.327707
C 1.711582 -1.436536 -0.322620
C 0.907887 0.969332 -1.785291
C -0.673084 0.217932 -0.017549
C 0.375845 -2.115075 0.062672
C 0.736298 2.285175 0.370035
C 0.950581 -0.403254 -2.470394
C 1.813916 -0.117002 1.865158
C -0.805265 -1.185673 0.104850
C -1.822597 1.013809 0.016575
C 2.079240 2.996633 0.234264
C 3.044478 -0.825600 2.426343
C -2.073613 -1.757229 0.285208
C -3.075229 0.411439 0.197271
C -3.227215 -0.972175 0.336935
H 2.806831 0.402605 0.008341
H 2.552824 -2.079568 0.052126
H 1.859131 1.505672 -1.978274
H 0.107070 1.583190 -2.236285
H 0.494141 -2.583878 1.063345
H 0.169038 -2.953546 -0.631668
H 0.460338 2.218853 1.442372
H -0.050666 2.910773 -0.100838
H -0.074279 -0.835068 -2.506283
H 1.291590 -0.284163 -3.522703
H 0.892316 -0.620589 2.216325
H 1.762701 0.908011 2.286406
H 1.884113 -2.234899 -2.231306
H -1.774413 2.096559 -0.097738
H 2.871932 2.486372 0.794598
H 2.405666 3.053331 -0.811710
H 2.017762 4.022332 0.615538
H 3.095983 -1.871469 2.103163
H 3.972551 -0.339125 2.104139
H 3.035044 -0.821570 3.522093
H -2.168838 -2.838595 0.386585
H -4.201212 -1.424863 0.477978
H -5.000267 0.810222 0.352200


%chk=000194526-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194526

0 1
O -4.236417 1.278265 0.266827
N 1.933337 -1.268653 -1.815424
C 0.691724 0.884852 -0.269239
C 1.838641 -0.014913 0.313964
C 1.745426 -1.415437 -0.348415
C 0.891284 0.961564 -1.827765
C -0.680607 0.221214 -0.000055
C 0.424715 -2.116735 0.084252
C 0.743616 2.338335 0.310444
C 0.924815 -0.424331 -2.497333
C 1.843280 -0.082182 1.864517
C -0.794953 -1.199383 0.113139
C -1.860304 1.003479 0.054943
C 2.122171 3.036399 0.271765
C 2.993336 -0.928951 2.455875
C -2.076138 -1.776288 0.284819
C -3.126367 0.407704 0.224100
C -3.248204 -0.995426 0.341735
H 2.802793 0.417731 -0.020338
H 2.592758 -2.035062 0.001620
H 1.850594 1.471720 -2.036922
H 0.076938 1.567626 -2.270476
H 0.570070 -2.550991 1.096290
H 0.234207 -2.978179 -0.587955
H 0.371204 2.328490 1.353305
H 0.033471 2.968090 -0.261048
H -0.099935 -0.864423 -2.487092
H 1.222703 -0.313886 -3.557352
H 0.871390 -0.465007 2.232108
H 1.931921 0.946694 2.262382
H 2.052162 -2.180914 -2.275841
H -1.826381 2.092299 -0.031151
H 2.869379 2.521301 0.901487
H 2.530052 3.093254 -0.753206
H 2.030224 4.072024 0.648233
H 2.884930 -2.003257 2.218775
H 3.974040 -0.596721 2.065071
H 3.021018 -0.837611 3.557441
H -2.158106 -2.867095 0.373092
H -4.229931 -1.469078 0.472047
H -5.074258 0.767284 0.390785


