%chk=000096147.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096147

0 1
 O   -3.311300      -3.103900      0.2794000    
 O    6.313900       2.183500     -0.1494000    
 O    7.274600      0.2128000     -3.6699999E-02
 N   0.1522000     -0.8521000      0.1016000    
 N    1.285700      -1.579700      0.1337000    
 N    3.664500      -1.716200      0.1179000    
 N    6.245200      0.9317000     -7.1199998E-02
 C   -3.734100       2.514000     -5.8899999E-02
 C   -3.612800      0.9839000      3.2499999E-02
 C   -4.484600       3.050300       1.179300    
 C   -4.517200       2.898100      -1.333100    
 C   -2.374500       3.246300     -0.1210000    
 C   -2.357500      0.4297000      5.1500000E-02
 C   -4.765900      0.2423000      9.1300003E-02
 C   -2.247900     -0.9583000      0.1351000    
 C   -4.656400      -1.145700      0.1751000    
 C   -3.397500      -1.746200      0.1969000    
 C  -0.9244000      -1.565400      0.1567000    
 C   -3.284900      -3.826900     -0.9494000    
 C    2.540800     -0.9535000      8.1900001E-02
 C    2.568800      0.4354000     -3.8999999E-03
 C    3.804900       1.070300     -5.5199999E-02
 C    4.970800      0.3134000     -2.0099999E-02
 C    4.847600      -1.064000      6.6000000E-02
 H   -4.546500       4.144800       1.159500    
 H   -5.512100       2.675400       1.240600    
 H   -3.973300       2.762900       2.105800    
 H   -5.545500       2.520600      -1.322000    
 H   -4.579900       3.987100      -1.444200    
 H   -4.029700       2.499700      -2.230900    
 H   -2.521500       4.331800     -0.1855000    
 H   -1.769400       3.067800      0.7758000    
 H   -1.792000       2.958900      -1.004400    
 H   -1.453200       1.021600      4.6999999E-03
 H   -5.755000      0.6868000      7.6200001E-02
 H   -5.556200      -1.753100      0.2238000    
 H  -0.8683000      -2.666400      0.2313000    
 H   -2.466000      -3.485300      -1.590300    
 H   -4.239600      -3.717600      -1.473600    
 H   -3.131300      -4.885000     -0.7208000    
 H    1.270000      -2.591000      0.1961000    
 H    1.673200       1.047600     -3.2800000E-02
 H    3.825100       2.154900     -0.1222000    
 H    5.708500      -1.725100      9.8099999E-02


%chk=000096147-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096147

0 1
O -2.988006 -3.193691 -0.299330
O 6.648136 2.264462 0.241020
O 7.575390 0.173323 0.163639
N 0.329439 -0.818807 -0.094073
N 1.538575 -1.483916 -0.090230
N 3.846269 -1.612020 -0.030937
N 6.554056 0.972130 0.174216
C -3.786966 2.562492 -0.079421
C -3.564892 1.033039 -0.132304
C -4.661312 2.918020 1.161134
C -4.522312 3.020534 -1.375230
C -2.453749 3.346106 0.025397
C -2.284626 0.442385 -0.117943
C -4.684361 0.156306 -0.205363
C -2.091169 -0.966114 -0.173926
C -4.534218 -1.243242 -0.261418
C -3.239939 -1.813385 -0.246528
C -0.759376 -1.566728 -0.161217
C -4.138479 -4.098250 -0.379165
C 2.737990 -0.796598 -0.021932
C 2.805307 0.628686 0.051044
C 4.070227 1.220837 0.116384
C 5.217290 0.383681 0.107288
C 5.062526 -1.023041 0.032904
H -4.833870 4.009731 1.204672
H -5.648187 2.422456 1.123952
H -4.161612 2.608563 2.097283
H -5.498248 2.515627 -1.492695
H -4.706981 4.110785 -1.344482
H -3.915040 2.797262 -2.271436
H -2.663991 4.430561 0.062184
H -1.893283 3.082295 0.941387
H -1.801402 3.161799 -0.848067
H -1.383099 1.057757 -0.063828
H -5.699389 0.569361 -0.218719
H -5.424493 -1.876277 -0.315613
H -0.714475 -2.668687 -0.210973
H -4.729015 -3.914278 -1.297031
H -4.789092 -3.997806 0.510624
H -3.706694 -5.109073 -0.411504
H 1.606828 -2.513083 -0.138078
H 1.883763 1.212793 0.054058
H 4.199112 2.304793 0.173856
H 5.940669 -1.674586 0.025601


