%chk=000200208.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200208

0 1
O 2.713187 1.420641 1.768028
O -0.991500 3.583154 -0.678125
O -1.089682 -3.056201 -0.010026
O -4.941188 -0.394676 0.060448
O -3.242150 1.931782 -0.050547
O 5.722401 -0.690602 0.436674
N 0.578033 -0.616467 0.302838
N 3.804884 -0.804628 -0.781094
C 2.957874 -0.612444 0.404851
C 2.421774 0.879812 0.478201
C 0.941243 0.741634 0.376044
C 1.713701 -1.554504 0.366905
C -0.222387 1.515895 0.321529
C -0.778146 -0.727832 0.186888
C -1.306442 0.594867 0.193249
C -1.602096 -1.958097 0.064366
C -0.286364 3.004033 0.419337
C -2.733990 0.830686 0.061599
C -3.060338 -1.698356 0.041125
C -3.578342 -0.437682 0.055474
C 5.207699 -0.840148 -0.656135
C -3.942428 -2.899461 0.015966
C 5.952243 -1.064144 -1.936452
C -5.621123 0.890362 -0.000062
H 3.563884 -0.814108 1.333503
H 2.859557 1.533037 -0.305904
H 1.704863 -2.258720 -0.494351
H 1.648058 -2.185934 1.283155
H 3.342665 -0.869190 -1.682078
H -0.764310 3.311689 1.372987
H 0.718180 3.470923 0.348673
H 3.681158 1.579586 1.860845
H -4.352200 -3.107238 1.016232
H -3.400536 -3.800069 -0.312385
H -4.801076 -2.753096 -0.657649
H -1.946601 3.295450 -0.656248
H 7.038971 -1.085705 -1.739660
H 5.697913 -2.022431 -2.410511
H 5.779371 -0.267686 -2.673045
H -5.363610 1.415225 -0.925646
H -5.369002 1.497347 0.875229
H -6.670750 0.572298 0.011974


%chk=000200208-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200208

0 1
O 2.937209 1.611526 1.053120
O -1.152364 3.678890 -0.550368
O -1.203098 -3.092791 -0.266470
O -5.048470 -0.298363 0.205848
O -3.287545 2.024726 0.214122
O 5.357694 0.508138 0.341511
N 0.506452 -0.648331 -0.062775
N 4.032669 -1.133700 -0.615964
C 2.842959 -0.749838 0.160013
C 2.414480 0.770869 -0.008117
C 0.915060 0.682482 0.055512
C 1.604289 -1.614994 -0.226783
C -0.217127 1.503359 0.182817
C -0.868305 -0.726374 -0.028443
C -1.348751 0.596905 0.129384
C -1.706527 -1.919403 -0.121507
C -0.239749 3.002499 0.372845
C -2.782435 0.844738 0.174015
C -3.166995 -1.678210 -0.019352
C -3.666470 -0.386643 0.137962
C 5.243778 -0.493752 -0.441185
C -4.093876 -2.865759 -0.088165
C 6.428851 -1.042444 -1.218190
C -5.788709 0.939256 0.547931
H 3.057020 -0.865436 1.241204
H 2.756164 1.131703 -1.004121
H 1.644994 -1.964790 -1.277348
H 1.447805 -2.494068 0.417274
H 3.970780 -1.920711 -1.264065
H -0.504301 3.237234 1.427355
H 0.761516 3.419291 0.181127
H 3.934990 1.487644 1.013872
H -4.731541 -2.922203 0.813116
H -3.505811 -3.792290 -0.181250
H -4.782123 -2.783586 -0.949777
H -2.075955 3.346693 -0.343711
H 6.891380 -0.226419 -1.798188
H 7.189716 -1.404799 -0.505057
H 6.163862 -1.865926 -1.902844
H -5.702193 1.684621 -0.256802
H -5.418604 1.377982 1.488619
H -6.827321 0.591276 0.659036


