%chk=000063934.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063934

0 1
 O    1.505400       2.551800     -0.7802000    
 O   -2.293300       3.444900     -3.2000002E-02
 O   -5.752900     -0.8362000      0.2791000    
 N   0.9787000      0.3021000     -0.4065000    
 N    2.702900      -1.226000      0.2112000    
 C  -0.4406000      0.5386000     -0.6802000    
 C   -1.199100      0.8842000      0.6037000    
 C    1.466600     -0.9751000     -9.1200002E-02
 C    1.836400       1.411600     -0.4667000    
 C   -2.661400       1.108300      0.3538000    
 C    3.247300       1.139400     -0.1191000    
 C    3.618400     -0.1661000      0.2119000    
 C   0.5299000      -2.114100     -0.1018000    
 C   -3.137800       2.378600      4.6900000E-02
 C   -3.532900      2.6799999E-02  0.4334000    
 C    4.190100       2.173800     -0.1171000    
 C    4.952500     -0.4251000      0.5473000    
 C  -0.1552000      -2.455500       1.059500    
 C   0.3382000      -2.836700      -1.274600    
 C    5.515300       1.900700      0.2190000    
 C   -4.895300      0.2178000      0.2034000    
 C   -4.500300       2.569700     -0.1829000    
 C    5.896600      0.6028000      0.5513000    
 C   -5.379100       1.489300     -0.1047000    
 C   -1.042300      -3.531800       1.047700    
 C  -0.5490000      -3.913100      -1.286200    
 C   -1.239200      -4.260700     -0.1250000    
 H  -0.5306000       1.363800      -1.397200    
 H  -0.8898000     -0.3302000      -1.170100    
 H  -0.7447000       1.747000       1.106800    
 H   -1.090700      8.2500003E-02   1.341500    
 H   -3.156200     -0.9648000      0.6711000    
 H    3.912600       3.192800     -0.3715000    
 H    5.265400      -1.433700      0.8070000    
 H   5.0000002E-04  -1.903800       1.982500    
 H   0.8706000      -2.572800      -2.184400    
 H    6.250400       2.700200      0.2224000    
 H   -4.883500       3.557700     -0.4232000    
 H    6.929000      0.3900000      0.8130000    
 H   -6.439300       1.644400     -0.2849000    
 H   -1.578000      -3.803700       1.952500    
 H  -0.7026000      -4.480400      -2.199500    
 H   -1.929800      -5.098800     -0.1341000    
 H   -1.377000       3.152400     -0.1538000    
 H   -5.248700      -1.637900      0.5009000    


%chk=000063934-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063934

0 1
O 0.820430 2.354482 -0.041823
O -1.685326 3.302662 -0.330010
O -6.505943 0.518253 0.548160
N 0.786472 0.011715 -0.135370
N 2.821612 -1.285295 -0.128676
C -0.685829 0.132801 -0.372692
C -1.478107 0.589833 0.887878
C 1.494108 -1.217693 -0.148124
C 1.472699 1.255478 -0.032763
C -2.799446 1.235174 0.503398
C 2.932124 1.181252 0.037944
C 3.564199 -0.100895 -0.044768
C 0.754605 -2.515876 -0.198467
C -2.823121 2.538375 -0.078106
C -4.027275 0.556965 0.711614
C 3.712786 2.363116 0.144590
C 4.985524 -0.177505 -0.022827
C -0.307445 -2.829013 0.689991
C 1.204534 -3.504267 -1.112677
C 5.112699 2.270785 0.168727
C -5.257015 1.153810 0.357982
C -4.065513 3.128500 -0.424304
C 5.747139 0.996434 0.082743
C -5.276612 2.447198 -0.211263
C -0.920516 -4.099725 0.649244
C 0.580599 -4.768156 -1.162133
C -0.486551 -5.069520 -0.283755
H -0.816748 0.876780 -1.177829
H -1.060780 -0.832005 -0.741726
H -0.859911 1.302832 1.463584
H -1.662349 -0.277934 1.545598
H -4.010422 -0.446555 1.160907
H 3.196212 3.326467 0.199852
H 5.449815 -1.166117 -0.083697
H -0.626191 -2.100207 1.442058
H 2.049163 -3.270385 -1.767993
H 5.721095 3.177207 0.251847
H -4.054097 4.132075 -0.859634
H 6.840681 0.934742 0.101514
H -6.236805 2.899216 -0.476248
H -1.728050 -4.335115 1.350820
H 0.929792 -5.518792 -1.879177
H -0.967217 -6.053248 -0.318444
H -0.795512 2.860201 -0.144376
H -6.382006 -0.373349 0.957431


