%chk=000117202.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000117202

0 1
O -0.473456 1.087218 -0.431247
O 1.490173 -1.617338 -0.405164
O -1.465251 -0.513774 -1.744039
O -0.302782 -2.389171 0.801868
N -2.662608 0.659942 -0.097198
N 0.298531 -3.348669 -1.244723
C 1.922256 0.752687 -0.221478
C 1.998768 1.906635 0.806126
C 0.759837 0.979234 -1.213802
C 1.689520 -0.553382 0.578463
C 3.214734 0.616807 -1.038472
C 2.397625 3.258353 0.199646
C 2.354943 4.371483 1.244664
C -1.530212 0.287973 -0.832723
C 0.390088 -2.437450 -0.193159
C -3.788057 -0.313824 -0.026956
C -3.690368 -1.189613 1.119533
C -3.598343 -1.923771 2.070037
H 1.006254 2.007569 1.295443
H 2.712176 1.644326 1.610568
H 0.674753 0.150417 -1.943155
H 0.830806 1.948914 -1.734620
H 2.577577 -0.866000 1.151366
H 0.808178 -0.485444 1.245411
H 4.096909 0.599563 -0.388223
H 3.349790 1.440597 -1.746322
H 3.218587 -0.321611 -1.611158
H 1.719080 3.511323 -0.639526
H 3.414593 3.196656 -0.234500
H 3.034094 4.169999 2.080740
H 1.348999 4.495630 1.662478
H 2.648097 5.333542 0.809184
H -2.504805 1.206683 0.754053
H -0.605661 -3.787237 -1.383059
H 0.797951 -3.142896 -2.100937
H -3.815898 -0.915127 -0.976966
H -4.736209 0.283360 0.005679
H -3.507266 -2.560704 2.879965


%chk=000117202-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117202

0 1
O -0.485636 0.905956 -0.171033
O 1.811795 -1.611445 -0.704202
O -1.537446 -0.661956 -1.602197
O 0.078411 -2.534951 0.620109
N -2.371803 -0.141327 0.529122
N 0.723957 -3.463433 -1.435272
C 1.986246 0.857390 -0.394346
C 2.171697 1.910242 0.745342
C 0.638709 1.047938 -1.130078
C 2.025068 -0.531698 0.290925
C 3.114907 0.953522 -1.454076
C 2.301354 3.384555 0.297850
C 2.463013 4.337574 1.502564
C -1.481568 -0.035427 -0.511303
C 0.790867 -2.543792 -0.416163
C -3.429714 -1.162145 0.511926
C -4.711756 -0.662967 1.045093
C -5.784159 -0.272397 1.510437
H 1.312303 1.826290 1.440421
H 3.079318 1.640435 1.326735
H 0.511766 0.301093 -1.933126
H 0.564463 2.062184 -1.559176
H 3.022930 -0.708316 0.732342
H 1.250990 -0.618277 1.073566
H 4.106119 0.957749 -0.963315
H 3.033405 1.876932 -2.055404
H 3.076122 0.090009 -2.141054
H 1.405824 3.684644 -0.280996
H 3.170767 3.502240 -0.377671
H 3.365177 4.084524 2.091327
H 1.591431 4.271864 2.180713
H 2.557609 5.389019 1.174778
H -2.177000 0.372143 1.388685
H -0.020369 -4.154358 -1.414723
H 1.293426 -3.343907 -2.269340
H -3.110079 -2.054924 1.087038
H -3.544251 -1.481731 -0.539916
H -6.720490 0.069646 1.912217


