%chk=000057958.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057958

0 1
 O   0.1256000       1.285400      0.2549000    
 O   -4.266700      -1.717200     -0.2434000    
 O    3.375700      -2.473300      6.4300001E-02
 O    4.767900     -0.3231000       1.280200    
 O    3.038400       3.359700     -0.6166000    
 N    1.691100     -0.8046000      0.1453000    
 N    3.970200      0.6817000     -0.6863000    
 C  -0.7681000     -0.8954000      9.6000005E-03
 C   -1.921700      -1.671600     -0.1206000    
 C   -2.197200       1.208400      0.1294000    
 C   -3.350700      0.4322000     -6.9999998E-04
 C  -0.8637000      0.5729000      0.1392000    
 C   0.4898000      -1.510000      1.8300001E-02
 C   -3.255100      -1.036300     -0.1300000    
 C   -1.817200      -3.062500     -0.2428000    
 C   0.5893000      -2.896400     -0.1032000    
 C   -2.301600       2.599100      0.2518000    
 C   -4.608600       1.046700     -8.7000001E-03
 C  -0.5617000      -3.670900     -0.2335000    
 C   -3.557100       3.207500      0.2439000    
 C   -4.708200       2.432900      0.1137000    
 C    2.977600      -1.324800      0.1647000    
 C    4.021600     -0.2597000      0.3164000    
 C    4.861400       1.816400     -0.7447000    
 C    4.269200       3.002900     -1.1000000E-03
 H   -2.699500      -3.688600     -0.3454000    
 H    1.508700      -3.461100     -0.1057000    
 H   -1.420800       3.227300      0.3543000    
 H   -5.521100      0.4652000     -0.1087000    
 H  -0.4836000      -4.750300     -0.3278000    
 H    1.612300      0.2039000      0.2379000    
 H   -3.637400       4.286600      0.3390000    
 H   -5.684400       2.909100      0.1075000    
 H    4.995900       2.055300      -1.804600    
 H    5.829500       1.541600     -0.3141000    
 H    3.270400      0.5904000      -1.417300    
 H    4.946800       3.860700     -4.9699999E-02
 H    4.074700       2.757900       1.048100    
 H    2.683400       4.119500     -0.1244000    


%chk=000057958-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057958

0 1
O 0.508483 1.187688 0.160561
O -4.262125 -1.571722 -0.135455
O 3.503295 -2.705738 -0.136778
O 5.171406 -0.419696 0.889822
O 2.315398 3.280443 -0.550204
N 1.839927 -1.025210 0.039573
N 3.840043 0.789799 -0.615647
C -0.600950 -0.957079 -0.014783
C -1.848148 -1.662592 -0.092498
C -1.888518 1.250914 0.055017
C -3.128989 0.551845 -0.013774
C -0.598980 0.517063 0.071343
C 0.626479 -1.722647 -0.040177
C -3.160657 -0.938427 -0.082257
C -1.872333 -3.067784 -0.190052
C 0.579320 -3.143412 -0.145891
C -1.884307 2.668335 0.114103
C -4.345392 1.274981 -0.019895
C -0.661681 -3.798189 -0.217425
C -3.099871 3.380529 0.104250
C -4.333010 2.683469 0.038242
C 3.159347 -1.501560 -0.024455
C 4.172167 -0.333064 0.125084
C 4.502795 2.095064 -0.462016
C 3.553365 3.111362 0.216799
H -2.844998 -3.565092 -0.245830
H 1.520224 -3.697367 -0.166235
H -0.926070 3.193214 0.166820
H -5.281669 0.710673 -0.071922
H -0.685710 -4.890007 -0.294155
H 1.693158 -0.000964 0.184354
H -3.090905 4.474374 0.147374
H -5.275789 3.240215 0.031576
H 4.793814 2.474198 -1.458417
H 5.413975 1.945721 0.143080
H 3.064568 0.751845 -1.281954
H 4.042991 4.100953 0.239174
H 3.347834 2.792679 1.259109
H 1.616612 2.642685 -0.237261


