%chk=000001936.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001936

0 1
 O   0.2237000       1.156600      0.2820000    
 O   -2.287200      -1.074500      -1.086900    
 O    2.047800     -0.6887000      -2.472700    
 O   -2.543200       1.762000      -1.521000    
 O   0.7492000      -3.971700     -0.1666000    
 O    1.129800       3.288300       1.333600    
 O    3.301000       2.896500      0.7311000    
 N   0.5323000      -1.797600      0.6356000    
 N   -4.290000      0.4014000       1.450300    
 C  -0.3143000      0.1659000     -0.6108000    
 C   0.5416000      -1.115200     -0.6407000    
 C   -1.758200     -9.7499996E-02 -0.1938000    
 C    1.981100     -0.7722000      -1.049900    
 C   -2.613700       1.181700     -0.2154000    
 C    2.429700      0.5343000     -0.4661000    
 C    1.577800       1.363200      0.1557000    
 C   -4.095500      0.9736000      0.1253000    
 C   0.6375000      -3.171300      0.7582000    
 C    2.124100       2.580900      0.7560000    
 C   0.6266000      -3.615800       2.196300    
 H  -0.3088000      0.5905000      -1.625300    
 H   0.1279000      -1.805600      -1.386400    
 H   -1.786800     -0.5074000      0.8224000    
 H    2.677000      -1.559600     -0.7373000    
 H   -2.196000       1.917900      0.4813000    
 H   0.5134000      -1.229300       1.477800    
 H    3.488700      0.7623000     -0.5489000    
 H   -4.613100       1.938800      7.0400000E-02
 H   -4.574800      0.3354000     -0.6266000    
 H   -1.979200      -1.946900     -0.7881000    
 H    1.840700      -1.569700      -2.828500    
 H   -2.885100       1.107100      -2.153600    
 H   -3.918000     -0.5468000       1.476200    
 H   -5.288600      0.3144000       1.635900    
 H   0.4707000      -4.696900       2.246100    
 H    1.584700      -3.367600       2.661000    
 H  -0.1822000      -3.121000       2.741700    
 H    1.458100       4.114500       1.748300    


%chk=000001936-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001936

0 1
O 0.175827 1.082321 0.342954
O -2.139258 -1.376978 -1.226448
O 2.101673 -0.099547 -2.611982
O -2.896215 1.036115 -2.019197
O -0.803966 -3.350497 0.050527
O 0.839606 3.207229 1.742646
O 3.114937 2.915114 1.374504
N 0.870896 -1.804290 0.506121
N -3.862645 0.590405 1.603587
C -0.262172 0.102420 -0.703060
C 0.737041 -1.074003 -0.770820
C -1.704723 -0.293635 -0.336182
C 2.126907 -0.519632 -1.195262
C -2.696057 0.863625 -0.574488
C 2.484192 0.686147 -0.366993
C 1.533451 1.379514 0.335109
C -4.045285 0.606562 0.135966
C 0.103410 -2.901249 0.832466
C 1.930977 2.548360 1.182140
C 0.388293 -3.560958 2.171313
H -0.241612 0.625043 -1.681742
H 0.365966 -1.785466 -1.529037
H -1.761512 -0.584319 0.731176
H 2.887113 -1.317655 -1.049969
H -2.252654 1.811119 -0.217454
H 1.514507 -1.422169 1.203861
H 3.518192 1.035813 -0.331928
H -4.764090 1.371786 -0.233810
H -4.419747 -0.384768 -0.180927
H -1.780904 -2.250590 -0.867935
H 2.103131 -0.909292 -3.187301
H -2.986808 0.111453 -2.381194
H -4.628788 0.148518 2.119324
H -3.613770 1.503070 1.999287
H -0.499942 -3.462837 2.819339
H 0.555975 -4.639147 2.010247
H 1.261045 -3.134674 2.693784
H 1.175706 3.977091 2.277979


