%chk=000148515.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148515

1 1
 O   -3.665300       3.107500     -0.2750000    
 O   -1.908800      -1.568100     -0.4245000    
 O    3.185900      0.5397000     -0.5625000    
 N   -1.573600       1.230300     -0.2713000    
 N    2.812300      -2.222800     -0.7120000    
 N    3.663700      -2.899800     -0.7988000    
 C   -1.423800       2.507700      0.4341000    
 C   -2.576800       1.222300      -1.344800    
 C  -0.4827000      0.3619000     -0.3808000    
 C   -2.794200       3.028700      0.8529000    
 C   -3.885600       1.811400     -0.8308000    
 C  -0.6542000      -1.036000     -0.4574000    
 C   0.8329000      0.8677000     -0.4189000    
 C    1.929800      1.3000000E-02 -0.5285000    
 C   0.4426000      -1.890700     -0.5671000    
 C    1.734600      -1.366100     -0.6026000    
 C   -2.201000      -2.471700      0.6391000    
 C    3.597200       1.307900      0.5664000    
 C   -3.686100      -2.391800      0.9580000    
 C    5.106400       1.192700      0.7162000    
 C   -4.070000      -3.320100       2.096200    
 C    5.616800       1.976400       1.912000    
 H  -0.8015000       2.396800       1.329800    
 H  -0.9495000       3.235900     -0.2354000    
 H   -2.198300       1.839100      -2.170000    
 H   -2.773100      0.2256000      -1.749600    
 H   -2.698600       4.033800       1.275600    
 H   -3.247700       2.388000       1.618900    
 H   -4.346100       1.163000     -7.5499997E-02
 H   -4.596900       1.916900      -1.656100    
 H    1.008500       1.940400     -0.3866000    
 H   0.2977000      -2.966200     -0.6343000    
 H   -1.936200      -3.487200      0.3230000    
 H   -1.618400      -2.218900       1.534500    
 H    3.108000      0.9473000       1.480600    
 H    3.312100       2.353700      0.4051000    
 H   -4.268700      -2.638100      6.2300000E-02
 H   -3.951200      -1.359100       1.215000    
 H    5.595300       1.547800     -0.1989000    
 H    5.386100      0.1371000      0.8170000    
 H   -3.846100      -4.361800       1.845200    
 H   -5.142000      -3.243400       2.303100    
 H   -3.528400      -3.063000       3.012200    
 H    5.379100       3.040500       1.814000    
 H    6.703600       1.877400       1.994500    
 H    5.170900       1.608600       2.841700    


%chk=000148515-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148515

1 1
O -3.537306 3.305113 0.185108
O -2.138802 -1.325231 0.191944
O 3.310547 0.035670 0.541299
N -1.368120 1.386107 -0.077102
N 2.551642 -2.512220 0.706664
N 3.415233 -3.287435 0.867875
C -1.092295 2.816358 0.240905
C -2.652732 1.233336 -0.831526
C -0.427629 0.401212 0.112542
C -2.313949 3.429629 0.973456
C -3.820214 1.885823 -0.068911
C -0.783409 -1.024171 0.218026
C 0.958647 0.752862 0.252884
C 1.962515 -0.200162 0.445891
C 0.205494 -1.983537 0.409448
C 1.581570 -1.592789 0.522815
C -2.570572 -2.738038 0.405653
C 3.824519 1.443040 0.482054
C -4.098417 -2.761690 0.363230
C 5.339807 1.379534 0.663600
C -4.635723 -4.191356 0.602677
C 5.957893 2.795859 0.621148
H -0.219317 2.902493 0.906528
H -0.898191 3.376188 -0.695062
H -2.517105 1.763554 -1.795672
H -2.856941 0.174405 -1.021810
H -2.153618 4.509668 1.120016
H -2.437686 2.937793 1.962067
H -4.005092 1.350962 0.885947
H -4.733267 1.868852 -0.684093
H 1.254071 1.794296 0.123448
H -0.049086 -3.039913 0.513736
H -2.135707 -3.368341 -0.396308
H -2.189710 -3.075726 1.390963
H 3.340032 2.022402 1.292843
H 3.549186 1.869970 -0.502542
H -4.442805 -2.389920 -0.619845
H -4.493229 -2.074208 1.133929
H 5.775694 0.750052 -0.133353
H 5.569857 0.893063 1.629002
H -4.275676 -4.896509 -0.168787
H -5.738055 -4.195726 0.568283
H -4.331701 -4.579725 1.592039
H 5.769289 3.295919 -0.346654
H 7.050789 2.736460 0.755993
H 5.558270 3.440380 1.425652


