%chk=000044498.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044498

0 1
 O   0.4254000      0.1453000     -0.1400000    
 O    2.489400       2.845100     -0.8711000    
 O   -1.122900      -2.316200     -7.1000000E-03
 O   -3.862800      -2.017000      0.3650000    
 O   -4.974700      0.4953000      0.5869000    
 N    3.114100      0.8671000      0.1566000    
 N    4.727800      -1.488100      0.4168000    
 C    2.928600     -3.5200000E-02   1.299800    
 C    4.436900      0.7953000     -0.4637000    
 C    3.359700      -1.462400      0.9530000    
 C    4.823200     -0.6473000     -0.7853000    
 C    2.166000       1.790900     -0.3209000    
 C   0.7563000       1.458400     -0.1454000    
 C    5.136500      -2.859900      0.1175000    
 C  -0.3462000       2.252500      2.3700001E-02
 C   -1.451700       1.369900      0.1444000    
 C  -0.9246000      8.6999997E-02  3.7200000E-02
 C   -1.685500      -1.078700      0.1039000    
 C   -2.837500       1.513000      0.3321000    
 C  -0.3829000       3.727300      7.3799998E-02
 C   -3.061100     -0.9130000      0.2912000    
 C   -3.629200      0.3585000      0.4034000    
 C  -0.4284000      -2.604200      -1.218200    
 C   -3.877200      -2.879500     -0.7684000    
 C   -5.779100      0.5959000     -0.5852000    
 H    1.908600     -1.0100000E-02   1.688400    
 H    3.566600      0.3552000       2.103600    
 H    5.150900       1.240000      0.2402000    
 H    4.456600       1.396800      -1.378900    
 H    3.304300      -2.069200       1.864700    
 H    2.654300      -1.890600      0.2293000    
 H    4.171400      -1.034100      -1.580100    
 H    5.850700     -0.6536000      -1.168000    
 H    4.497500      -3.327400     -0.6404000    
 H    5.105300      -3.476200       1.022800    
 H    6.171200      -2.882700     -0.2421000    
 H   -3.290000       2.496400      0.4210000    
 H  -0.2403000       4.147000     -0.9273000    
 H   -1.337400       4.097200      0.4609000    
 H   0.4066000       4.116000      0.7255000    
 H  -0.9396000      -2.175500      -2.086900    
 H  -0.3949000      -3.690700      -1.339700    
 H   0.5991000      -2.234700      -1.164100    
 H   -3.623700      -2.354100      -1.695900    
 H   -4.890300      -3.279300     -0.8731000    
 H   -3.199200      -3.722000     -0.6068000    
 H   -5.676900     -0.3008000      -1.204200    
 H   -5.504800       1.484000      -1.163400    
 H   -6.824000      0.6893000     -0.2768000    


%chk=000044498-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044498

0 1
O 0.307958 0.007291 -0.118385
O 2.600271 2.750810 -0.737024
O -1.573644 -2.349120 -0.027427
O -4.412945 -1.631779 0.124473
O -5.160963 1.025905 0.308732
N 3.153993 0.716888 0.259042
N 4.987378 -1.494060 0.320513
C 2.913239 -0.426832 1.165477
C 4.589897 0.937346 -0.019787
C 3.544033 -1.705180 0.579585
C 5.207992 -0.350099 -0.597502
C 2.228195 1.649887 -0.196851
C 0.775231 1.372968 -0.071956
C 5.669267 -2.722065 -0.128500
C -0.296883 2.255215 -0.004148
C -1.506322 1.443162 0.013887
C -1.098318 0.088452 -0.068508
C -1.991095 -1.004539 -0.068450
C -2.885480 1.743531 0.112216
C -0.254397 3.756334 0.054879
C -3.380959 -0.693850 0.023367
C -3.808424 0.684845 0.116181
C -0.546180 -2.753282 -1.012583
C -4.272548 -2.986258 -0.443756
C -6.123738 0.605100 -0.728215
H 1.837144 -0.571421 1.325900
H 3.398610 -0.208279 2.138755
H 5.111075 1.204406 0.921272
H 4.676987 1.780713 -0.722973
H 3.432297 -2.532456 1.305339
H 2.988498 -1.986414 -0.353644
H 4.767978 -0.539895 -1.610444
H 6.297070 -0.203994 -0.723377
H 5.291048 -3.108792 -1.109055
H 5.537026 -3.518044 0.626307
H 6.751822 -2.528179 -0.233636
H -3.261550 2.766666 0.190142
H -0.792609 4.192715 -0.807920
H -0.751530 4.126451 0.971606
H 0.782826 4.120360 0.024359
H -0.901467 -2.565405 -2.044295
H -0.406419 -3.833063 -0.851548
H 0.400817 -2.213877 -0.842389
H -3.909346 -2.944408 -1.488047
H -5.293967 -3.397902 -0.415678
H -3.585679 -3.597856 0.159758
H -6.200846 -0.493837 -0.771429
H -5.829120 1.008023 -1.717390
H -7.084122 1.044718 -0.418173


