%chk=000201759.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201759

0 1
O 0.579460 0.503651 -1.056978
O -3.393375 1.537450 -0.149725
O 2.073788 -1.200074 0.246450
O -0.078823 1.684790 0.753498
N 4.026081 -0.047644 0.058846
C -1.486471 -0.081732 -0.185496
C 1.939789 0.938085 -0.869897
C -2.839778 0.290730 -0.184370
C 2.656490 -0.196658 -0.135095
C -1.170027 -1.463502 -0.287136
C -0.333477 0.812682 -0.046289
C -3.862800 -0.693576 -0.258233
C 4.778162 -1.086952 0.797021
C 4.761964 1.178114 -0.309073
C -2.165393 -2.422428 -0.361426
C -3.519508 -2.030478 -0.343004
C -2.560567 2.718694 -0.066270
H 1.972172 1.892545 -0.308227
H 2.305251 1.073116 -1.904536
H -0.105786 -1.750544 -0.295712
H -4.900620 -0.365041 -0.246761
H 5.606768 -1.474541 0.183075
H 4.107212 -1.937446 1.040157
H 5.178389 -0.692694 1.744766
H 4.405205 2.051181 0.265676
H 4.658547 1.391892 -1.386989
H 5.840491 1.068013 -0.103240
H -1.908355 -3.476790 -0.432151
H -4.300002 -2.791358 -0.397548
H -1.897160 2.780723 -0.932348
H -2.000395 2.722649 0.879544
H -3.311630 3.518742 -0.084129


%chk=000201759-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201759

0 1
O 0.642183 0.326080 -1.213524
O -3.245810 1.557780 0.352075
O 2.167192 -1.285768 0.318274
O -0.034273 1.501399 0.685080
N 4.089423 0.028312 0.174671
C -1.521171 -0.172717 -0.336952
C 2.009781 0.792342 -0.978991
C -2.833177 0.261931 0.036794
C 2.757364 -0.246961 -0.104290
C -1.336259 -1.540106 -0.708679
C -0.292133 0.648028 -0.200318
C -3.893565 -0.682429 0.087770
C 4.847937 -0.902214 1.029579
C 4.795851 1.252894 -0.230585
C -2.394604 -2.460931 -0.671503
C -3.679119 -2.027471 -0.254096
C -2.521700 2.743058 -0.131362
H 1.988981 1.779632 -0.480932
H 2.458541 0.876850 -1.982441
H -0.323658 -1.858403 -0.970981
H -4.881883 -0.315568 0.380471
H 5.741928 -1.276680 0.495884
H 4.192080 -1.747722 1.285941
H 5.173243 -0.399153 1.960619
H 4.952006 1.928578 0.634104
H 4.241538 1.805047 -1.003412
H 5.787061 0.993418 -0.647648
H -2.220896 -3.507340 -0.940873
H -4.513962 -2.735643 -0.208306
H -2.138051 2.580148 -1.157163
H -1.684908 2.988407 0.541600
H -3.274338 3.546801 -0.136407


