%chk=000056158.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056158

0 1
 O    2.178400       1.856500     -0.1555000    
 O    3.350600       1.040500       1.605800    
 O   -2.687200       1.676300      0.3446000    
 O   -1.448200       1.133500      -1.502300    
 O   -3.146200      -2.024400       1.375500    
 N   -2.251200     -0.5559000     -0.1248000    
 N    4.554100     -0.7823000     -9.9600002E-02
 N   -3.047200     -0.8200000       1.117000    
 C   0.7614000     -0.9407000     -0.5703000    
 C    2.186500      -1.386100     -0.2265000    
 C  -0.2970000      -2.039700     -0.4111000    
 C    3.222800     -0.2752000     -0.4421000    
 C   -1.700000      -1.651700     -0.8690000    
 C    2.950700      0.9203000      0.4545000    
 C   -2.080100      0.7867000     -0.5060000    
 C   -2.547400       3.062000      9.8999999E-03
 H   0.7449000     -0.5739000      -1.603700    
 H   0.4858000     -0.1047000      7.9999998E-02
 H    2.446200      -2.255100     -0.8447000    
 H    2.205000      -1.721300      0.8191000    
 H  -0.3263000      -2.352200      0.6402000    
 H   1.9200001E-02  -2.917000     -0.9889000    
 H    3.233500      5.2400000E-02  -1.487800    
 H   -2.370200      -2.517500     -0.8228000    
 H   -1.654200      -1.362300      -1.926300    
 H    4.772500      -1.589400     -0.6829000    
 H    5.255200     -7.5800002E-02 -0.3205000    
 H    1.994400       2.619200      0.4333000    
 H   -1.491100       3.347500      1.5400000E-02
 H   -3.073700       3.648900      0.7673000    
 H   -2.998600       3.262500     -0.9665000    


%chk=000056158-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056158

0 1
O 2.204457 1.291924 1.101222
O 4.493224 1.021135 1.317333
O -2.819977 1.785760 0.163164
O -1.915376 1.017449 -1.852850
O -2.813009 -1.792155 1.672666
N -2.288561 -0.466513 -0.068923
N 4.602583 -0.895921 -0.614095
N -2.868132 -0.599091 1.232724
C 0.746202 -0.864043 -0.559828
C 2.176198 -1.331531 -0.215820
C -0.285375 -1.993322 -0.343595
C 3.296483 -0.262309 -0.430592
C -1.720638 -1.631569 -0.795500
C 3.426970 0.717040 0.736802
C -2.313164 0.817843 -0.680547
C -2.891184 3.144497 -0.433058
H 0.710050 -0.526082 -1.616162
H 0.486378 0.011817 0.060733
H 2.448257 -2.187074 -0.865049
H 2.230592 -1.707794 0.823584
H -0.300819 -2.298161 0.719637
H 0.012741 -2.889308 -0.925345
H 2.980314 0.368170 -1.301415
H -2.397602 -2.484056 -0.605105
H -1.741611 -1.374188 -1.866767
H 4.769724 -1.326639 -1.522370
H 5.395914 -0.402572 -0.199520
H 2.359243 1.924338 1.854925
H -1.883840 3.487817 -0.721268
H -3.312243 3.767936 0.366996
H -3.545201 3.137704 -1.320677


