%chk=000040598.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040598

0 1
 O    3.475400       2.133700      0.6674000    
 N   -1.851900      0.9428000     -0.5513000    
 N    1.658000      0.7006000      0.5244000    
 C   0.6422000       1.687900      0.8139000    
 C  -0.5448000       1.059600       1.547800    
 C   0.1631000       2.378600     -0.4650000    
 C   -1.398000      0.1858000      0.6230000    
 C  -0.7142000       1.461100      -1.322600    
 C   -2.707800      0.1112000      -1.397100    
 C   -3.930300     -0.3671000     -0.6600000    
 C    3.007400       1.014600      0.4756000    
 C   -3.883500      -1.568100      3.4000002E-02
 C   -5.086800      0.4000000     -0.6843000    
 C    3.922100     -0.1067000      0.1392000    
 C   -5.016000      -2.011200      0.7173000    
 C   -6.219300     -4.3200001E-02 -8.9999998E-04
 C   -6.183800      -1.248900      0.6998000    
 C    5.127900      0.1768000     -0.4677000    
 C    3.536600      -1.395400      0.4450000    
 C    5.987000     -0.8758000     -0.7834000    
 C    4.395800      -2.448000      0.1295000    
 C    5.621000      -2.188100     -0.4847000    
 H    1.095000       2.443200       1.468000    
 H   -1.172600       1.859900       1.961700    
 H  -0.1940000      0.4597000       2.396500    
 H    1.016100       2.726200      -1.060000    
 H  -0.4171000       3.270300     -0.1930000    
 H  -0.8427000     -0.7143000      0.3307000    
 H   -2.235900     -0.1252000       1.252400    
 H   -1.081000       2.045400      -2.175500    
 H  -0.1092000      0.6403000      -1.729700    
 H   -2.157800     -0.7524000      -1.797200    
 H   -3.035600      0.6844000      -2.274900    
 H    1.339200     -0.2187000      0.2389000    
 H   -2.986800      -2.181500      4.4199999E-02
 H   -5.124900       1.341400      -1.225000    
 H   -4.989500      -2.951600       1.260000    
 H   -7.128600      0.5505000     -1.4100000E-02
 H   -7.065700      -1.594200       1.231200    
 H    5.425600       1.192300     -0.7114000    
 H    2.608800      -1.636700      0.9532000    
 H    6.940700     -0.6739000      -1.262400    
 H    4.114900      -3.469500      0.3690000    
 H    6.290600      -3.007600     -0.7289000    


%chk=000040598-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040598

0 1
O 3.317862 2.319428 0.067796
N -1.828187 0.668247 -0.544350
N 1.703842 0.715254 0.524078
C 0.629184 1.712552 0.734258
C -0.527919 1.081645 1.541515
C 0.085559 2.265274 -0.610839
C -1.326914 0.057314 0.707816
C -0.719719 1.201877 -1.378212
C -2.719241 -0.241537 -1.302401
C -4.047852 -0.508179 -0.599563
C 2.999199 1.094668 0.219987
C -4.645730 -1.791227 -0.651466
C -4.728436 0.537389 0.074781
C 4.013197 -0.013859 0.068767
C -5.903842 -2.026887 -0.049879
C -5.982427 0.304344 0.680885
C -6.576841 -0.978722 0.618593
C 5.200909 0.283675 -0.646940
C 3.847362 -1.309802 0.625162
C 6.194042 -0.701143 -0.826449
C 4.844752 -2.294617 0.450245
C 6.017237 -1.995357 -0.281684
H 1.085082 2.547660 1.296471
H -1.215474 1.891336 1.846891
H -0.140297 0.603075 2.461144
H 0.929843 2.629171 -1.222276
H -0.572791 3.127340 -0.391430
H -0.692958 -0.848479 0.487218
H -2.189726 -0.305786 1.293599
H -1.156219 1.649946 -2.290316
H -0.031026 0.381214 -1.712303
H -2.222881 -1.220292 -1.532203
H -2.918548 0.243603 -2.279520
H 1.452801 -0.274171 0.527672
H -4.124746 -2.610221 -1.163926
H -4.251781 1.522935 0.123369
H -6.354204 -3.024995 -0.098138
H -6.497668 1.120963 1.199904
H -7.550518 -1.159680 1.087943
H 5.321541 1.297589 -1.042347
H 2.965206 -1.552373 1.230627
H 7.105112 -0.461981 -1.385881
H 4.713029 -3.288496 0.892191
H 6.789786 -2.760494 -0.417187


