%chk=000158279.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158279

0 1
 O   0.7215000      -3.612000     -0.5676000    
 N   -1.682400       1.316300     -6.0400002E-02
 C   3.9799999E-02 -0.2417000      0.6486000    
 C    1.552000     -0.4136000      0.9782000    
 C  -0.2829000      -1.398500     -0.3755000    
 C    1.015000      -2.226500     -0.4891000    
 C    1.803300      -1.905600      0.7708000    
 C  -0.3169000       1.142400      0.1373000    
 C  -0.7904000     -0.4607000       1.955200    
 C    2.459300      0.4353000      7.2899997E-02
 C  -0.7784000     -0.9902000      -1.782500    
 C    2.074100       1.917700      0.1178000    
 C   -2.296100     -0.2328000       1.752000    
 C   0.5966000       2.103300     -8.5900001E-02
 C   -2.582400       1.107500       1.076600    
 C   -2.178000     -0.3557000      -1.813800    
 C   -2.223900       1.119100      -1.402900    
 C    2.869900       2.695800     -0.9318000    
 H    1.768100     -0.1431000       2.019700    
 H   -1.057300      -2.055100      4.2500000E-02
 H    1.587700      -1.957900      -1.383100    
 H    2.864700      -2.150600      0.6574000    
 H    1.434500      -2.488400       1.623600    
 H  -0.4405000      0.2341000       2.731400    
 H  -0.6341000      -1.471100       2.352400    
 H    2.413100      8.1500001E-02 -0.9646000    
 H    3.503400      0.3158000      0.3892000    
 H  -0.8238000      -1.900000      -2.396100    
 H  -5.2499998E-02 -0.3306000      -2.274200    
 H    2.328500       2.325800       1.104500    
 H   -2.716400      -1.045200       1.150000    
 H   -2.808800     -0.2731000       2.720000    
 H   0.2564000       3.084600     -0.4097000    
 H   -3.634500       1.160700      0.7746000    
 H   -2.422700       1.918600       1.798100    
 H   -2.558300     -0.4219000      -2.841000    
 H   -2.865300     -0.9445000      -1.196000    
 H   -1.652800       1.718900      -2.122900    
 H   -3.256400       1.484500      -1.455000    
 H   0.2433000      -3.868700      0.2392000    
 H    3.946400       2.571900     -0.7722000    
 H    2.636800       2.355800      -1.947300    
 H    2.647500       3.767400     -0.8781000    


%chk=000158279-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158279

0 1
O 0.742736 -3.709154 -0.630751
N -1.721511 1.440669 -0.058381
C 0.031688 -0.241283 0.674172
C 1.563692 -0.403554 0.996562
C -0.292422 -1.406354 -0.364210
C 1.006170 -2.271590 -0.445976
C 1.821592 -1.919940 0.817991
C -0.313037 1.160498 0.159832
C -0.807427 -0.460021 1.981278
C 2.456236 0.437942 0.051258
C -0.784192 -1.005625 -1.777282
C 2.110799 1.943436 0.100870
C -2.323063 -0.269174 1.743764
C 0.611287 2.136603 -0.051111
C -2.589020 1.119305 1.102651
C -2.193995 -0.367403 -1.845095
C -2.229289 1.127654 -1.416041
C 2.898083 2.745090 -0.964386
H 1.762759 -0.078148 2.037673
H -1.078336 -2.055992 0.079094
H 1.577103 -2.021526 -1.357299
H 2.891704 -2.170411 0.710837
H 1.429342 -2.492160 1.683611
H -0.467647 0.272583 2.742253
H -0.608502 -1.469559 2.393859
H 2.336105 0.092127 -0.995131
H 3.520672 0.283848 0.319037
H -0.779852 -1.930022 -2.390393
H -0.050090 -0.314266 -2.241060
H 2.408402 2.335591 1.100156
H -2.712114 -1.071849 1.088452
H -2.871371 -0.344341 2.703688
H 0.246213 3.129687 -0.348880
H -3.643839 1.206406 0.781745
H -2.418234 1.894317 1.879111
H -2.566803 -0.424279 -2.889268
H -2.902322 -0.958162 -1.229122
H -1.619987 1.708120 -2.136275
H -3.266934 1.509537 -1.487747
H 0.237174 -4.034842 0.158189
H 3.988725 2.615794 -0.832176
H 2.634502 2.404208 -1.983429
H 2.672101 3.825741 -0.899771


