%chk=000020485.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020485

0 1
 O    3.444000      -2.155100      0.4671000    
 O    1.658800      -3.325200     -0.4290000    
 N   0.2973000       2.309500       1.194300    
 N  -0.7807000      -2.118200      0.3893000    
 C  -0.6887000      0.2367000      0.6567000    
 C  -4.8999999E-02   1.489800      1.9300001E-02
 C    1.266000       1.255700     -0.7802000    
 C  -0.8590000      0.6174000       2.154900    
 C   0.1187000      -1.072100      0.4886000    
 C  -0.7551000       2.136600       2.171400    
 C    2.171000      0.2240000     -3.9500002E-02
 C   -2.045300     -0.2057000      0.1312000    
 C    1.439500      -1.062600      0.2420000    
 C   0.9167000      0.7595000      -2.200500    
 C    2.026300       2.573900     -0.9309000    
 C   0.6398000       3.674800      0.8279000    
 C   -2.040000      -1.614800      4.8500001E-02
 C    1.714400       3.676400     -0.2276000    
 C   -3.181800      0.5234000     -0.1678000    
 C   8.4299996E-02   1.782800      -2.935700    
 C    2.166100      -2.321700      4.3699998E-02
 C   -3.175900      -2.316100     -0.3022000    
 C   -4.327400     -0.1794000     -0.5481000    
 C   -4.326000      -1.584700     -0.6099000    
 C    4.286000      -3.305100      0.3367000    
 H  -0.8009000       2.042100     -0.5531000    
 H  -4.5499999E-02  0.1915000       2.758800    
 H   -1.803400      0.2845000       2.600600    
 H   -1.695300       2.606800       1.861200    
 H  -0.4758000       2.507200       3.162100    
 H    2.547300      0.6317000      0.9080000    
 H    3.052400      3.4100000E-02 -0.6670000    
 H   0.3709000     -0.1901000      -2.182700    
 H    1.837400      0.5744000      -2.769400    
 H    2.844100       2.619300      -1.645700    
 H    1.023100       4.198700       1.710800    
 H  -0.2308000       4.230900      0.4601000    
 H  -0.4901000      -3.056900      0.1635000    
 H    2.263300       4.597400     -0.3980000    
 H   -3.198900       1.604800     -9.4700001E-02
 H  -0.9443000       1.837300      -2.570100    
 H   0.5111000       2.788800      -2.947500    
 H   2.4999999E-03   1.476000      -3.985800    
 H   -3.180400      -3.399400     -0.3525000    
 H   -5.237300      0.3649000     -0.7875000    
 H   -5.234000      -2.107400     -0.8994000    
 H    5.279500      -3.043100      0.7102000    
 H    4.370900      -3.594700     -0.7150000    
 H    3.892400      -4.132400      0.9350000    


%chk=000020485-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000020485

0 1
O 3.534141 -2.175622 0.039461
O 1.566471 -3.429173 0.164572
N 0.139181 2.462273 1.171623
N -0.780124 -2.067644 0.306120
C -0.728140 0.273433 0.644244
C -0.059747 1.551587 0.016518
C 1.320319 1.313023 -0.674724
C -0.852633 0.639046 2.191475
C 0.092168 -0.997912 0.464144
C -0.879826 2.179691 2.186457
C 2.165208 0.341468 0.236605
C -2.101968 -0.178069 0.140877
C 1.473808 -1.008694 0.366723
C 1.174700 0.705765 -2.110487
C 2.033074 2.658547 -0.795765
C 0.511595 3.832108 0.829930
C -2.092026 -1.602363 0.048240
C 1.657596 3.800620 -0.164459
C -3.287529 0.528333 -0.106359
C 0.378371 1.555273 -3.127470
C 2.142660 -2.287844 0.193038
C -3.246533 -2.336047 -0.278922
C -4.461781 -0.194732 -0.454256
C -4.436808 -1.607298 -0.532206
C 4.252555 -3.453109 -0.149402
H -0.766502 1.993463 -0.726042
H 0.048557 0.292284 2.725506
H -1.745253 0.174650 2.640766
H -1.900622 2.561946 1.926222
H -0.595707 2.611540 3.163823
H 2.286902 0.842612 1.215935
H 3.174289 0.198398 -0.185789
H 0.717550 -0.299069 -2.043772
H 2.201410 0.547755 -2.501138
H 2.894224 2.679136 -1.480620
H 0.833911 4.359222 1.750571
H -0.340602 4.431340 0.406501
H -0.393692 -3.011957 0.175067
H 2.194425 4.741132 -0.343616
H -3.314907 1.622228 -0.042578
H -0.695354 1.608602 -2.870797
H 0.764195 2.589248 -3.185149
H 0.450031 1.108224 -4.136328
H -3.230692 -3.428746 -0.346757
H -5.391793 0.344446 -0.663916
H -5.350735 -2.150473 -0.797925
H 5.310130 -3.168356 -0.248519
H 3.893942 -3.969899 -1.056057
H 4.099760 -4.114183 0.720736


