%chk=000201039.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201039

0 1
O -2.380499 -3.402330 0.001920
O -0.348053 -2.686835 0.225002
O 3.706219 3.089053 0.233943
O 1.645185 2.461644 0.006566
O -5.570604 1.057951 -0.358998
O -4.293950 2.765900 0.033162
N -1.237930 -0.006638 0.407391
N 2.445848 -0.239921 -0.328005
N 4.551246 -1.025078 0.028338
N -1.561634 -2.516517 0.130105
N 2.853222 2.238157 0.076006
N -4.495695 1.571141 -0.104864
C 0.207602 -0.021306 0.690308
C 1.008981 -0.164332 -0.626210
C -2.045394 -1.151565 0.157369
C 3.257179 -1.378604 -0.278096
C -2.025995 1.109411 0.331299
C 3.281553 0.868066 -0.018155
C -3.352802 0.686613 0.046927
C -3.367553 -0.723159 -0.058226
C 4.578370 0.339487 0.184081
C 2.784645 -2.748168 -0.533828
H 0.446607 -0.869231 1.383527
H 0.497510 0.929776 1.210733
H 0.810658 0.713961 -1.293912
H 0.695470 -1.087670 -1.174975
H -1.673820 2.130050 0.470959
H -4.226268 -1.350634 -0.265590
H 5.479905 0.889621 0.428965
H 1.824438 -2.980498 -0.035489
H 2.655382 -2.947422 -1.611104
H 3.519779 -3.492222 -0.167649


%chk=000201039-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201039

0 1
O -2.705472 -3.452119 -0.011152
O -0.503538 -2.879946 0.254031
O 3.674286 3.199212 0.217686
O 1.510522 2.496142 -0.068503
O -5.561208 1.236224 -0.386251
O -4.083016 2.937415 0.036690
N -1.257262 -0.123642 0.416265
N 2.466501 -0.211459 -0.309651
N 4.606416 -0.924354 0.020024
N -1.769305 -2.578275 0.137743
N 2.796608 2.268463 0.038635
N -4.383196 1.687532 -0.110474
C 0.194332 -0.164592 0.711405
C 1.020989 -0.268368 -0.595945
C -2.149574 -1.193994 0.162495
C 3.326657 -1.309614 -0.266892
C -1.974336 1.050497 0.340165
C 3.265315 0.922536 -0.033145
C -3.314531 0.720774 0.046985
C -3.438664 -0.689278 -0.063000
C 4.574916 0.450577 0.160478
C 2.907120 -2.720212 -0.531036
H 0.408177 -1.020067 1.368130
H 0.443971 0.777499 1.223659
H 0.751433 0.561868 -1.266256
H 0.813589 -1.229237 -1.091750
H -1.515586 2.025536 0.491472
H -4.333510 -1.266018 -0.279774
H 5.458934 1.037410 0.395135
H 2.012182 -3.016471 0.043133
H 2.682693 -2.886104 -1.602096
H 3.744157 -3.379234 -0.256709


