%chk=000045758.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045758

2 1
 S  -0.4411000       1.440000     -0.4438000    
 O  -0.4784000       2.346100      0.7470000    
 N    3.268700     -0.2171000      4.5200001E-02
 N   -4.299000     -5.4600000E-02 -0.3340000    
 C    2.239600      0.8190000     -0.2215000    
 C    3.074600     -0.8321000       1.438000    
 C    4.678500      0.3864000     -1.7800000E-02
 C    3.186000      -1.346300     -0.9910000    
 C   0.8520000      0.2093000     -0.1577000    
 C   -3.170000      0.9585000     -0.4563000    
 C   -1.828500      0.2744000     -0.2734000    
 C   -4.253100     -0.7020000       1.042500    
 C    3.151800      0.2616000       2.480700    
 C    4.896900       1.000800      -1.383200    
 C    4.272700      -2.360900     -0.7102000    
 C   -4.137800      -1.125100      -1.403700    
 C   -5.635300      0.6500000     -0.5187000    
 C   -5.377400      -1.707900       1.157900    
 H    2.372100       1.675900      0.4463000    
 H    2.372000       1.191800      -1.242800    
 H    2.144200      -1.404200       1.475100    
 H    3.903000      -1.513900       1.645200    
 H    4.729900       1.209400      0.7004000    
 H    5.435800     -0.3461000      0.2695000    
 H    2.227100      -1.858300     -0.8675000    
 H    3.223200     -0.9353000      -2.002900    
 H   0.6282000     -0.2276000      0.8170000    
 H   0.6996000     -0.5452000     -0.9324000    
 H   -3.334900       1.730200      0.3056000    
 H   -3.247100       1.430200      -1.443600    
 H   -1.659200     -0.5021000      -1.023100    
 H   -1.712600     -0.1563000      0.7228000    
 H   -3.310300      -1.238900       1.167000    
 H   -4.335100      8.6400002E-02   1.798600    
 H    4.122700      0.7563000       2.546700    
 H    2.362800       1.012300       2.396500    
 H    3.002500     -0.2017000       3.464500    
 H    4.845400      0.2912000      -2.210900    
 H    4.250300       1.856400      -1.592700    
 H    5.917300       1.404000      -1.411000    
 H    5.288600      -1.990300     -0.8604000    
 H    4.197400      -2.866600      0.2537000    
 H    4.164200      -3.166200      -1.449400    
 H   -3.873400     -0.6355000      -2.346500    
 H   -5.088200      -1.648900      -1.543000    
 H   -3.362600      -1.837000      -1.106400    
 H   -6.439600     -8.1900001E-02 -0.6247000    
 H   -5.579800       1.243300      -1.437300    
 H   -5.807200       1.306800      0.3392000    
 H   -6.370700      -1.253000       1.128200    
 H   -5.327400      -2.514000      0.4218000    
 H   -5.306100      -2.194200       2.138700    


%chk=000045758-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045758

2 1
S -0.441271 0.869875 -1.188907
O -0.437973 1.663349 0.284612
N 3.443470 -0.252531 0.001694
N -4.485176 -0.023708 -0.212098
C 2.260048 0.430223 -0.714758
C 3.042437 -0.725411 1.431926
C 4.596245 0.793128 0.137485
C 3.897335 -1.482522 -0.835569
C 1.011565 -0.443828 -0.909866
C -3.137739 0.623537 -0.626474
C -2.007331 -0.342044 -0.998915
C -4.289042 -0.861506 1.087450
C 2.380157 0.334918 2.321430
C 5.225174 1.273275 -1.174898
C 5.145093 -2.210948 -0.323118
C -5.029698 -0.892057 -1.344574
C -5.462749 1.129021 0.047904
C -5.573011 -1.440049 1.691516
H 1.996698 1.313809 -0.105294
H 2.641712 0.774087 -1.689104
H 2.383270 -1.600465 1.294650
H 3.975342 -1.085846 1.894209
H 4.165361 1.641225 0.693930
H 5.354170 0.315440 0.779615
H 3.032849 -2.169376 -0.849965
H 4.057244 -1.112246 -1.862337
H 0.698956 -0.988509 -0.006232
H 1.032439 -1.091755 -1.799043
H -2.807319 1.251573 0.223770
H -3.372649 1.286270 -1.478330
H -2.118076 -0.840741 -1.973529
H -1.732877 -1.045719 -0.198594
H -3.594047 -1.675755 0.820800
H -3.785424 -0.186079 1.801408
H 3.038902 1.194086 2.529478
H 1.419419 0.710859 1.928577
H 2.173726 -0.139821 3.297379
H 5.705350 0.465585 -1.751155
H 4.525685 1.819663 -1.828882
H 6.023756 1.988835 -0.909645
H 6.046734 -1.576866 -0.320003
H 5.013079 -2.652887 0.677876
H 5.349019 -3.047783 -1.014437
H -5.063112 -0.295144 -2.269215
H -6.045709 -1.224513 -1.090281
H -4.380102 -1.769205 -1.481701
H -6.454548 0.720949 0.284703
H -5.531124 1.750331 -0.858297
H -5.094054 1.733505 0.890630
H -6.273580 -0.667676 2.047019
H -6.102796 -2.128352 1.012194
H -5.283526 -2.033097 2.577168


