%chk=000081952.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000081952

0 1
O 0.294325 -3.268801 0.826672
O -0.323417 3.698434 0.126657
O 1.622548 -1.984933 1.949338
O 1.696469 2.950844 0.271998
O -3.838760 -1.282256 -0.599184
O -3.979550 0.855612 -0.926389
N 2.160599 0.391388 0.212864
N 0.733059 -2.175398 1.133721
N 0.479768 2.788282 0.172406
N -3.376220 -0.155550 -0.614525
C 0.825392 0.253549 0.308530
C 0.123810 -1.001282 0.498688
C -0.027591 1.420179 0.100918
C 3.190736 -0.685849 0.248125
C -1.966885 -0.003414 -0.227250
C -1.221370 -1.129645 0.159197
C -1.383928 1.271075 -0.191238
C 4.496653 -0.148653 -0.318583
H 2.561965 1.360593 0.138822
H 3.335406 -1.031800 1.308258
H 2.844053 -1.564761 -0.342900
H -1.719704 -2.117641 0.217651
H -2.009260 2.163309 -0.396195
H 4.401271 0.187651 -1.360128
H 4.901353 0.689372 0.266262
H 5.267676 -0.934706 -0.309515


%chk=000081952-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081952

0 1
O 0.382859 -3.376817 0.574281
O -0.286134 3.744377 -0.199953
O 1.538171 -2.045372 2.031763
O 1.805836 2.943672 0.185523
O -3.938293 -1.312176 -0.478927
O -4.084579 0.951799 -0.770745
N 2.186153 0.360701 0.346289
N 0.735936 -2.221897 1.029390
N 0.517164 2.764622 0.013166
N -3.427638 -0.125636 -0.498068
C 0.834093 0.236180 0.317360
C 0.112437 -1.018746 0.439533
C -0.020702 1.396092 0.061800
C 3.223708 -0.688241 0.293981
C -1.990489 0.004461 -0.192236
C -1.246533 -1.145767 0.137336
C -1.395985 1.274989 -0.191270
C 4.525025 -0.097056 -0.273102
H 2.500899 1.350722 0.305548
H 3.385742 -1.107915 1.304501
H 2.868048 -1.521032 -0.342443
H -1.736985 -2.121499 0.200325
H -1.991075 2.167981 -0.401028
H 4.387851 0.279666 -1.301820
H 4.898909 0.730407 0.357053
H 5.303981 -0.877918 -0.294055


