%chk=000041100.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041100

1 1
 O    2.457400       2.123000       1.273600    
 O    7.001300      -1.083300     -1.5900001E-02
 N    4.305300      0.1221000     -0.1071000    
 N    4.654900      -1.258700     -2.6100000E-02
 C    2.819400      0.1678000     -0.1034000    
 C    2.365900       1.624000     -5.9799999E-02
 C   0.9372000       1.824400     -0.5872000    
 C  -0.1412000       1.031100      0.1619000    
 C   -1.524800       1.274800     -0.4487000    
 C   -2.642800      0.4871000      0.2408000    
 C    4.878600      0.6503000      -1.410800    
 C    4.889700      0.8017000       1.119400    
 C   -4.013400      0.6733000     -0.4158000    
 C   -5.074900     -0.1923000      0.2687000    
 C   -6.463500     -6.7199998E-02 -0.3651000    
 C   -7.530200     -0.9130000      0.3338000    
 C    5.960600      -1.732700      1.1900000E-02
 C   -8.896300     -0.7409000     -0.3320000    
 C    5.984900      -3.237500      8.5199997E-02
 C   -9.968000      -1.554000      0.3766000    
 H    2.465000     -0.3342000      -1.012500    
 H    2.460200     -0.3772000      0.7798000    
 H    2.990600       2.277100     -0.6716000    
 H   0.6840000       2.890500     -0.5214000    
 H   0.9112000       1.554300      -1.650300    
 H   8.2800001E-02 -4.0700000E-02  0.1196000    
 H  -0.1508000       1.320300       1.219200    
 H   -1.760300       2.345200     -0.4021000    
 H   -1.500800       1.001900      -1.511300    
 H   -2.699200      0.7893000       1.293800    
 H   -2.382100     -0.5787000      0.2311000    
 H    5.961600      0.5101000      -1.428500    
 H    4.694200       1.722700      -1.491900    
 H    4.413800      0.1159000      -2.245500    
 H    4.780200       1.884000       1.014000    
 H    5.961700      0.6079000       1.189900    
 H    4.383800      0.4261000       2.014400    
 H   -4.306200       1.728700     -0.3651000    
 H   -3.952100      0.4040000      -1.476900    
 H    3.865100      -1.898000     -1.3000000E-02
 H   -5.138100      8.5800000E-02   1.328000    
 H   -4.762800      -1.243600      0.2355000    
 H   -6.769400      0.9864000     -0.3470000    
 H   -6.402700     -0.3606000      -1.420500    
 H    2.168200       3.051200       1.262600    
 H   -7.236400      -1.969200      0.3080000    
 H   -7.594300     -0.6205000       1.388800    
 H   -9.184700      0.3167000     -0.3230000    
 H   -8.841000      -1.053500      -1.381200    
 H    5.570300      -3.657800     -0.8355000    
 H    7.014900      -3.585400      0.2038000    
 H    5.397000      -3.580900      0.9412000    
 H   -10.07130      -1.241500       1.420600    
 H   -9.725800      -2.621400      0.3594000    
 H   -10.93550      -1.417100     -0.1164000    


%chk=000041100-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041100

1 1
O 2.470594 2.361540 0.644916
O 6.929015 -0.996243 0.788045
N 4.362318 0.143255 0.138603
N 4.814909 -1.228614 -0.177327
C 2.918635 0.251058 -0.439054
C 2.382149 1.675135 -0.652214
C 0.936315 1.628471 -1.209296
C -0.099485 0.856723 -0.358321
C -1.547001 1.113496 -0.838270
C -2.600024 0.302835 -0.050247
C 5.306198 1.158397 -0.522049
C 4.349576 0.350632 1.668240
C -4.046878 0.567008 -0.524921
C -5.100837 -0.258512 0.246799
C -6.548101 0.006579 -0.225869
C -7.602277 -0.825756 0.538329
C 6.081305 -1.724568 0.210625
C -9.050087 -0.558847 0.066822
C 6.299584 -3.180425 -0.151928
C -10.096810 -1.395748 0.833152
H 2.940787 -0.252861 -1.421757
H 2.275133 -0.303612 0.262326
H 3.013839 2.207252 -1.394942
H 0.602541 2.681356 -1.321539
H 0.963761 1.218392 -2.239165
H 0.092748 -0.235587 -0.405610
H -0.008063 1.152753 0.706295
H -1.775515 2.195770 -0.747890
H -1.629206 0.867306 -1.917399
H -2.520001 0.544251 1.030231
H -2.378664 -0.781108 -0.145744
H 6.322490 0.949743 -0.161771
H 4.983430 2.161569 -0.209553
H 5.245716 1.034763 -1.613114
H 3.888572 1.330766 1.854195
H 5.388242 0.294398 2.020569
H 3.743473 -0.453375 2.111829
H -4.278234 1.647201 -0.417404
H -4.126120 0.338197 -1.608248
H 4.087467 -1.842709 -0.552384
H -5.023487 -0.032813 1.331024
H -4.873432 -1.339726 0.137090
H -6.780583 1.085921 -0.110217
H -6.626299 -0.213257 -1.311299
H 1.948818 3.202401 0.619590
H -7.374217 -1.906112 0.421430
H -7.526879 -0.608292 1.624475
H -9.278844 0.519979 0.185367
H -9.125872 -0.774725 -1.018601
H 7.189295 -3.254923 -0.800309
H 6.522274 -3.746561 0.768920
H 5.446377 -3.654014 -0.665475
H -10.064614 -1.176823 1.917144
H -9.911005 -2.478821 0.704387
H -11.121824 -1.185318 0.477515


