%chk=000070580.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070580

0 1
 O   0.2199000       1.650600       2.192800    
 O  -0.3557000       3.667400      -1.888600    
 N  -0.1266000       2.926600      0.2959000    
 C   9.8000001E-03  0.5721000     -1.8800000E-02
 C    1.355200     -0.2082000      7.9899997E-02
 C   -1.309300     -0.2194000      0.1839000    
 C  -5.6600001E-02   1.321700      -1.386000    
 C   5.0200000E-02   1.752900      0.9832000    
 C    1.558300      -1.577500     -0.2032000    
 C   -1.612800      -1.362900     -0.5824000    
 C   0.5265000      -2.557100     -0.7088000    
 C  -0.6073000      -1.962100      -1.521500    
 C  -0.2071000       2.780900      -1.060200    
 C    2.518300      0.5408000      0.4203000    
 C   -2.316700      0.2331000       1.067800    
 C    2.844400      -2.147200     -1.3100000E-02
 C   -2.854900      -2.016300     -0.4419000    
 C    3.781500     -3.3399999E-02  0.5749000    
 C   -3.544400     -0.4228000       1.203400    
 C    3.942100      -1.389300      0.3758000    
 C   -3.814900      -1.549900      0.4466000    
 H  -0.9138000       1.028300      -2.001800    
 H   0.8553000       1.200300      -1.981800    
 H    1.033200      -3.272600      -1.371500    
 H   0.1464000      -3.135300      0.1439000    
 H   -1.079300      -2.763200      -2.104900    
 H  -0.2565000      -1.232300      -2.257900    
 H  -0.1655000       3.830100      0.7547000    
 H    2.464100       1.616900      0.5737000    
 H   -2.190100       1.126900       1.671600    
 H    2.998200      -3.210500     -0.1936000    
 H   -3.075700      -2.907000      -1.026100    
 H    4.630000      0.5850000      0.8515000    
 H   -4.288500     -4.0399998E-02   1.896200    
 H    4.914800      -1.854300      0.4993000    
 H   -4.766100      -2.063100      0.5454000    


%chk=000070580-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000070580

0 1
O 0.107393 1.838159 2.160375
O -0.233790 3.636878 -2.139067
N -0.092239 2.971503 0.121286
C 0.001407 0.565741 -0.036191
C 1.347242 -0.210442 0.139911
C -1.311448 -0.230492 0.227273
C -0.058258 1.231365 -1.471955
C 0.018215 1.814012 0.911369
C 1.576464 -1.566500 -0.255469
C -1.654483 -1.336218 -0.608157
C 0.547781 -2.537279 -0.838273
C -0.657431 -1.925973 -1.588306
C -0.140974 2.742954 -1.268313
C 2.456251 0.528283 0.645934
C -2.241971 0.177020 1.218113
C 2.882387 -2.110384 -0.098229
C -2.909901 -1.971011 -0.447389
C 3.741767 -0.026705 0.789767
C -3.489890 -0.467595 1.370777
C 3.959819 -1.370160 0.420592
C -3.836226 -1.542507 0.527576
H -0.941998 0.911831 -2.048431
H 0.838363 1.005539 -2.074187
H 1.085020 -3.215063 -1.528816
H 0.154193 -3.177541 -0.022243
H -1.153661 -2.725018 -2.168603
H -0.293267 -1.185667 -2.324335
H -0.127259 3.909021 0.531111
H 2.321572 1.568573 0.955647
H -1.998899 0.994242 1.900617
H 3.046553 -3.152192 -0.401491
H -3.155676 -2.820350 -1.096622
H 4.557394 0.584320 1.190836
H -4.182771 -0.125479 2.147174
H 4.948858 -1.828969 0.525786
H -4.804136 -2.045097 0.630634


