%chk=000178009.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178009

0 1
 O   -4.067500      0.2045000     -0.8839000    
 O   -5.272300      -2.472900      7.0400000E-02
 O   -6.032200       2.174800     -0.6136000    
 O    7.360800      0.5133000      0.1508000    
 N   -1.832700      0.2038000     -8.8100001E-02
 N    2.026700     -0.6301000     -0.1306000    
 N  -0.5205000       1.998800      0.2108000    
 N  -0.1580000      -1.548200     -0.3157000    
 N    2.567700       1.519000      0.2038000    
 C   -3.054700     -0.5793000     -0.2295000    
 C   -3.650800      -1.053300       1.088100    
 C   -5.108400      -1.215400      0.7223000    
 C   -5.343900     -8.7499999E-02 -0.2769000    
 C   -5.854000       1.185300      0.3845000    
 C  -0.5484000     -0.2574000     -0.1294000    
 C   0.2199000      0.8723000      5.7300001E-02
 C   -1.763200       1.562900      0.1183000    
 C    1.586400      0.6656000      5.5399999E-02
 C    3.399400     -0.6016000     -9.7599998E-02
 C    1.141900      -1.711100     -0.3122000    
 C    3.709000      0.7466000      0.1114000    
 C    4.376900      -1.592600     -0.2262000    
 C    5.057600       1.134100      0.1975000    
 C    5.712000      -1.185100     -0.1375000    
 C    6.048400      0.1535000      7.0400000E-02
 H   -2.823700      -1.422700     -0.8910000    
 H   -3.542100     -0.2865000       1.864200    
 H   -3.173500      -1.973400       1.439100    
 H   -5.780700      -1.197400       1.584100    
 H   -6.020200     -0.3850000      -1.086400    
 H   -5.144800       1.577700       1.120300    
 H   -6.815800       1.015900      0.8774000    
 H   -2.646400       2.182100      0.1980000    
 H   -4.795500      -2.454600     -0.7761000    
 H    1.567700      -2.717000     -0.4548000    
 H   -5.171800       2.314400      -1.045100    
 H    4.119200      -2.633300     -0.3879000    
 H    5.316800       2.176100      0.3593000    
 H    6.497600      -1.931200     -0.2336000    
 H    7.416400       1.473400      0.2962000    


%chk=000178009-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178009

0 1
O -3.886207 -0.348673 -0.966268
O -5.822955 -2.448998 0.276999
O -5.046835 2.187505 -1.295195
O 7.467756 0.603243 -0.188444
N -1.934693 0.006999 0.440740
N 2.026035 -0.598221 -0.136119
N -0.663218 1.845718 0.965226
N -0.159286 -1.558220 -0.277510
N 2.615945 1.543107 0.575013
C -3.076785 -0.870152 0.173864
C -4.060816 -1.034115 1.360217
C -5.457583 -1.089489 0.692459
C -5.303006 -0.138517 -0.511598
C -5.519424 1.353152 -0.196511
C -0.599516 -0.340364 0.186527
C 0.168998 0.805205 0.525469
C -1.906895 1.334005 0.900227
C 1.587708 0.711344 0.368657
C 3.434958 -0.514866 -0.230759
C 1.161916 -1.645321 -0.427505
C 3.766081 0.810074 0.212165
C 4.415996 -1.436586 -0.645751
C 5.115653 1.227600 0.241584
C 5.756568 -1.013615 -0.613287
C 6.095036 0.301455 -0.174650
H -2.633084 -1.825737 -0.155637
H -3.991208 -0.174745 2.049604
H -3.864998 -1.952723 1.933957
H -6.268270 -0.790078 1.375074
H -5.934142 -0.442395 -1.363659
H -5.018770 1.627796 0.759451
H -6.597014 1.566721 -0.092282
H -2.806545 1.888802 1.154207
H -5.224607 -2.736634 -0.460458
H 1.601819 -2.574997 -0.795106
H -4.171608 1.819475 -1.592062
H 4.168991 -2.447617 -0.985146
H 5.368739 2.238567 0.578726
H 6.568027 -1.678040 -0.922191
H 7.630543 1.527838 0.123470


