%chk=000203238.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203238

0 1
O -4.200121 0.944858 2.119820
N 0.986131 -0.948464 -0.728279
N -4.074224 -0.164879 0.092003
C 2.400283 0.292565 0.870024
C 3.319983 -0.664159 0.028043
C 3.122716 1.666769 0.755816
C 4.455111 0.280935 -0.464161
C 3.695041 1.620000 -0.690723
C 4.425507 1.579667 1.603401
C 5.335041 0.633438 0.770689
C 1.016066 0.239491 0.192225
C 2.419759 -1.219252 -1.094603
C 0.361827 -2.154630 -0.078230
C -1.043050 -1.913730 0.166415
C -2.216096 -1.719017 0.369647
C -3.622243 -1.475818 0.610431
C -3.883465 0.172803 -1.347328
C -4.077248 1.706005 -1.429803
C -4.270881 2.203956 0.011888
C -4.159230 0.979985 0.907267
H 2.328878 -0.031933 1.923549
H 3.726315 -1.486012 0.643604
H 2.490088 2.527794 0.993886
H 5.018443 -0.101330 -1.321165
H 2.924789 1.565596 -1.469434
H 4.350591 2.463712 -0.933216
H 4.238728 1.190109 2.613498
H 4.882785 2.572488 1.725422
H 6.262761 1.137035 0.461762
H 5.631890 -0.258872 1.338398
H 0.192227 0.214877 0.929258
H 0.839141 1.131236 -0.446696
H 2.595567 -0.688850 -2.056162
H 2.608382 -2.288984 -1.289602
H 0.470851 -3.014779 -0.787175
H 0.867155 -2.453436 0.873231
H -4.243518 -2.275595 0.133224
H -3.839191 -1.502615 1.714666
H -4.638230 -0.371857 -1.950037
H -2.878039 -0.134531 -1.706329
H -4.950070 1.958272 -2.055926
H -3.203235 2.185958 -1.902621
H -5.251644 2.692641 0.158803
H -3.510373 2.951051 0.303619


%chk=000203238-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203238

0 1
O -4.527875 1.066042 2.157084
N 1.087062 -0.808063 -0.903552
N -4.068730 -0.076712 0.144363
C 2.496729 0.331682 0.771053
C 3.397743 -0.687283 -0.042240
C 3.368206 1.624081 0.800060
C 4.669846 0.152555 -0.369665
C 4.072453 1.574236 -0.588057
C 4.572331 1.376790 1.759702
C 5.467708 0.358449 0.955140
C 1.174089 0.427521 -0.061206
C 2.512568 -1.085935 -1.271181
C 0.475995 -1.966992 -0.174660
C -0.941252 -1.736638 0.159886
C -2.122745 -1.545745 0.459136
C -3.546481 -1.298428 0.774520
C -3.992979 0.179589 -1.308124
C -4.850351 1.467617 -1.479566
C -4.786980 2.160703 -0.093244
C -4.468180 1.027547 0.894894
H 2.286836 -0.019796 1.797584
H 3.660708 -1.580410 0.554146
H 2.796780 2.540932 1.024718
H 5.273612 -0.256259 -1.198049
H 3.376790 1.638964 -1.442951
H 4.847051 2.353409 -0.706580
H 4.244894 0.973842 2.735457
H 5.117839 2.318334 1.954277
H 6.466845 0.784006 0.748617
H 5.617470 -0.593136 1.497490
H 0.269290 0.525073 0.561580
H 1.214957 1.303556 -0.736972
H 2.773561 -0.457777 -2.144684
H 2.634745 -2.141421 -1.571626
H 0.551096 -2.848237 -0.840451
H 1.022552 -2.228034 0.766882
H -4.152671 -2.172030 0.459526
H -3.691462 -1.161281 1.864259
H -4.396532 -0.677317 -1.878373
H -2.939963 0.328785 -1.620504
H -5.893258 1.191910 -1.714805
H -4.473199 2.102859 -2.297515
H -5.720382 2.669232 0.196644
H -3.971520 2.906277 -0.033917


