%chk=000171787.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171787

0 1
 O   -2.072000      -1.683500     -0.4462000    
 O    2.552300      -1.554100      0.1705000    
 O    4.538900      -2.606500      0.5894000    
 N   -4.335500     -0.8811000      -2.141800    
 N   -1.642700      0.6087000     -0.7078000    
 C   -4.417100      0.1260000       1.605600    
 C   -4.753800     -0.6044000      0.2893000    
 C   -3.909100     -0.1893000     -0.9265000    
 C   -4.538800       1.644800       1.474600    
 C   -2.998700     -0.2410000       2.051100    
 C   -2.439300     -0.5332000     -0.6701000    
 C  -0.2427000      0.6918000     -0.5182000    
 C    2.527000      0.8679000     -0.1466000    
 C    1.857100     -0.3549000     -8.3499998E-02
 C   0.4771000     -0.4595000     -0.2664000    
 C   0.3795000       1.925800     -0.5898000    
 C    1.763800       2.014600     -0.4041000    
 C    3.981700      0.8846000      5.8200002E-02
 C    4.616800     -0.2713000      0.2982000    
 C    4.731200       2.183500     -3.5000001E-03
 C    3.924300      -1.569100      0.3676000    
 H   -5.125300     -0.2206000       2.368400    
 H   -4.669400      -1.687500      0.4540000    
 H   -5.812000     -0.4168000      6.1000001E-02
 H   -4.036800      0.8822000      -1.109100    
 H   -4.413700       2.119000       2.454300    
 H   -3.784400       2.072900      0.8084000    
 H   -5.527800       1.922700       1.095400    
 H   -2.219400      0.4045000       1.651500    
 H   -2.939700     -8.1600003E-02   3.136800    
 H   -2.766200      -1.299100       1.905200    
 H   -3.819200     -0.5164000      -2.941600    
 H   -5.318600     -0.6811000      -2.322200    
 H   -2.097700       1.499200     -0.8949000    
 H   5.6899998E-02  -1.451700     -0.1990000    
 H  -0.1879000       2.831300     -0.7879000    
 H    2.223900       2.997400     -0.4660000    
 H    5.691100     -0.2960000      0.4543000    
 H    4.619200       2.651000     -0.9876000    
 H    5.804700       2.044400      0.1673000    
 H    4.370100       2.877800      0.7627000    


%chk=000171787-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171787

0 1
O -2.061002 -1.634294 -0.551058
O 2.700342 -1.588474 0.004947
O 4.679468 -2.726024 0.344700
N -4.411083 -0.683550 -2.167616
N -1.556212 0.659503 -0.684631
C -4.680259 0.142583 1.635637
C -4.819709 -0.560831 0.254796
C -3.924688 -0.066448 -0.910443
C -4.903797 1.672841 1.549750
C -3.363782 -0.188392 2.381719
C -2.436779 -0.432302 -0.678862
C -0.147266 0.671885 -0.528293
C 2.688970 0.866694 -0.215811
C 2.008293 -0.388928 -0.183797
C 0.612938 -0.505013 -0.336835
C 0.505087 1.943693 -0.566328
C 1.892444 2.031148 -0.412969
C 4.138193 0.885453 -0.046000
C 4.807129 -0.309964 0.141539
C 4.890782 2.197545 -0.075549
C 4.149177 -1.611074 0.180413
H -5.508508 -0.270867 2.249453
H -4.635567 -1.647118 0.382143
H -5.859824 -0.442990 -0.105553
H -4.038918 1.031092 -1.015080
H -4.969562 2.114896 2.561160
H -4.067058 2.180303 1.030176
H -5.837987 1.916786 1.009688
H -2.484622 0.271315 1.894524
H -3.402024 0.193188 3.419248
H -3.189103 -1.278541 2.422671
H -3.927469 -0.342894 -3.008292
H -4.374642 -1.710655 -2.119658
H -1.993377 1.577733 -0.799038
H 0.134603 -1.484696 -0.305495
H -0.086812 2.854848 -0.715921
H 2.373402 3.013640 -0.444737
H 5.892316 -0.337501 0.273226
H 4.751929 2.715865 -1.043097
H 5.970608 2.038802 0.074258
H 4.532167 2.882145 0.716016


