%chk=000070410.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070410

0 1
 O  -0.9121000     -0.3104000      -1.750500    
 O  -0.5567000      -3.793000      0.6681000    
 O    1.348600      -4.356600     -0.4101000    
 O    3.398600       3.858600     -0.1943000    
 N  -0.2790000      -1.218600      0.2902000    
 N   -1.511000       1.544400      0.7197000    
 C   -3.354800      0.6723000     -0.6574000    
 C   -4.505800       1.388700      8.1400000E-02
 C   -2.149600      0.3201000      0.2295000    
 C   0.8330000      -2.003100     -0.1957000    
 C   -1.065900     -0.4304000     -0.5365000    
 C    2.140300      -1.597600      0.4972000    
 C   -5.678900       1.719800     -0.8423000    
 C   -4.994000      0.5179000       1.242700    
 C    2.476800     -0.1374000      0.3121000    
 C   0.5816000      -3.491100     -1.2000001E-03
 C    3.243700      0.2499000     -0.7749000    
 C    2.012500      0.7881000       1.232900    
 C    3.554800       1.598800     -0.9457000    
 C    2.323400       2.137100       1.062100    
 C    3.094600       2.542600     -2.7300000E-02
 H   -3.028600       1.303900      -1.495300    
 H   -3.736900     -0.2503000      -1.115300    
 H   -4.145500       2.340000      0.4897000    
 H   -2.462200     -0.3018000       1.074100    
 H   0.9209000      -1.846800      -1.277800    
 H    2.081800      -1.820700       1.571900    
 H    2.971600      -2.211900      0.1257000    
 H   -5.349300       2.356900      -1.669700    
 H   -6.466200       2.254400     -0.3005000    
 H   -6.115900      0.8106000      -1.268700    
 H   -5.895600      0.9477000       1.693700    
 H   -4.249900      0.4508000       2.041500    
 H   -5.240000     -0.4958000      0.9087000    
 H  -0.5013000      -1.277000       1.279900    
 H   -2.169200       2.076400       1.286500    
 H  -0.7489000       1.298600       1.350100    
 H    3.604200     -0.4777000      -1.496400    
 H    1.418400      0.4824000       2.089300    
 H    4.155900       1.901700      -1.798900    
 H    1.963000       2.867100       1.781700    
 H  -0.6750000      -4.761200      0.7726000    
 H    3.937800       3.958000     -0.9978000    


%chk=000070410-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000070410

0 1
O -0.731439 -0.410176 -1.791432
O -0.183709 -3.983144 1.075010
O 1.264232 -4.600487 -0.636384
O 2.848001 3.967382 0.279977
N -0.297116 -1.417510 0.261566
N -1.347049 1.620911 0.535430
C -3.255148 0.583068 -0.682358
C -4.343745 1.499895 -0.065668
C -2.009842 0.348460 0.204257
C 0.826680 -2.204250 -0.236185
C -0.978296 -0.519007 -0.555100
C 2.202415 -1.763462 0.395179
C -5.490657 1.702959 -1.084942
C -4.898491 0.949884 1.271409
C 2.400985 -0.257608 0.339477
C 0.665990 -3.703166 -0.008572
C 2.484157 0.426880 -0.899417
C 2.477607 0.507625 1.532067
C 2.635501 1.826852 -0.951249
C 2.629235 1.910222 1.500395
C 2.704394 2.569473 0.252645
H -2.899112 1.009857 -1.637812
H -3.709823 -0.402834 -0.913435
H -3.895622 2.498566 0.125546
H -2.327953 -0.228866 1.112571
H 0.861416 -2.032115 -1.327311
H 2.240425 -2.107270 1.446534
H 2.998732 -2.301110 -0.153602
H -5.112533 2.130411 -2.031903
H -6.265797 2.383867 -0.686341
H -5.977327 0.736848 -1.321251
H -5.683153 1.616807 1.674980
H -4.112427 0.854427 2.043419
H -5.349736 -0.050365 1.122842
H -0.587588 -1.537265 1.233462
H -1.940330 2.338445 0.952773
H -0.406283 1.563860 0.931213
H 2.405955 -0.131093 -1.839245
H 2.422624 0.000580 2.503337
H 2.679890 2.336514 -1.922164
H 2.695572 2.501010 2.418825
H -0.226999 -4.967845 1.213609
H 2.855563 4.338171 -0.637153


