%chk=000097611.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097611

0 1
 F   -1.130500       2.158800      -2.054100    
 F   -1.368900       3.074100       2.600400    
 O    6.574900      0.1016000      -1.801700    
 O    3.519800       2.271100       1.570000    
 O    4.496500      0.3505000      -2.678500    
 O    3.962800      -4.362500      0.6109000    
 O    5.279100      -3.231100       2.071900    
 N   -2.661200       2.911200      0.1438000    
 N    3.409700      0.8733000     -0.2775000    
 N   -3.625900      0.2649000      8.8699996E-02
 N   -3.145100      -1.078100      -2.282700    
 N   -3.362400      -3.109700      -1.193400    
 N   -3.836800      -3.205000       1.155300    
 N   -4.086700      -1.199300       2.378600    
 N   -3.582200      -5.170300     -9.1700003E-02
 C    4.791500      0.4645000     -0.2636000    
 C    5.034400     -0.7722000      0.6101000    
 C   -1.286000       2.624400      0.2699000    
 C   -3.408100       2.434800      -1.003300    
 C    4.315000      -2.053500      0.1694000    
 C    1.433800       2.056700      0.5205000    
 C    2.882400       1.755900      0.6551000    
 C  -0.5456000       2.248900     -0.8511000    
 C  -0.6664000       2.716000       1.516200    
 C   0.8142000       1.964900     -0.7258000    
 C   0.6935000       2.432200       1.641500    
 C   -3.396200      0.9320000      -1.052900    
 C    5.233200      0.2930000      -1.702500    
 C   -3.342200       3.697900       1.152800    
 C    4.577200      -3.240900       1.070300    
 C   -3.158600      0.2677000      -2.224800    
 C   -3.612000      -1.080600      2.8899999E-02
 C   -3.370900      -1.771600      -1.160500    
 C   -3.837100      -1.859800       1.147700    
 C   -3.595000      -3.759800     -3.7799999E-02
 H    5.374800       1.300000      0.1441000    
 H    4.735700     -0.5423000       1.641500    
 H    6.112400     -0.9767000      0.6479000    
 H   -4.464900       2.720400     -0.9120000    
 H   -3.085500       2.912900      -1.934700    
 H    2.803800      0.4241000     -0.9563000    
 H    4.639900      -2.326700     -0.8406000    
 H    3.232800      -1.883100      0.1568000    
 H    1.359100       1.705400      -1.628400    
 H    1.156500       2.505000       2.621900    
 H   -4.293500       4.089000      0.7736000    
 H   -2.758000       4.576100       1.450200    
 H   -3.582200       3.088600       2.030600    
 H   -2.978000      0.7759000      -3.164100    
 H    6.862300      6.6999998E-03  -2.734900    
 H    4.144900      -5.138900       1.182200    
 H   -4.240300      -1.783100       3.191400    
 H   -3.693900     -0.2758000       2.514700    
 H   -3.752400      -5.701600      0.7510000    
 H   -3.404200      -5.632500     -0.9726000    


%chk=000097611-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097611

0 1
F -0.404166 2.396858 -2.456912
F -1.760626 1.794166 2.187718
O 7.567003 1.302794 -0.248368
O 3.157358 0.782025 2.233244
O 5.840260 1.880608 -1.689797
O 5.387775 -3.790597 -1.475672
O 5.832400 -3.593177 0.795309
N -2.477093 2.587446 -0.525558
N 3.936169 1.080901 0.072848
N -3.629161 0.112477 -0.039570
N -5.297770 -1.255846 -1.929384
N -5.675004 -2.984278 -0.335175
N -4.636492 -2.838034 1.911778
N -3.278650 -1.004661 2.498709
N -5.989133 -4.630162 1.287677
C 5.320380 0.798645 0.470950
C 5.604963 -0.717589 0.698620
C -1.192965 2.164377 -0.164260
C -3.168570 1.942261 -1.654906
C 5.361452 -1.568927 -0.558891
C 1.543459 1.444710 0.547448
C 2.921360 1.079711 1.015652
C -0.122204 2.072727 -1.108842
C -0.775932 1.838435 1.163610
C 1.193105 1.720783 -0.800618
C 0.526907 1.508267 1.531553
C -3.847064 0.621551 -1.273207
C 6.227184 1.388412 -0.603484
C -3.349081 3.270427 0.451693
C 5.557793 -3.048974 -0.295414
C -4.690386 -0.081837 -2.199969
C -4.239759 -1.073262 0.265910
C -5.080159 -1.792241 -0.661229
C -4.051909 -1.661892 1.588660
C -5.415010 -3.437013 0.927263
H 5.528686 1.306802 1.433194
H 4.949832 -1.051571 1.520414
H 6.647118 -0.828963 1.044778
H -3.929705 2.645555 -2.045731
H -2.455795 1.767647 -2.478962
H 3.803051 1.434653 -0.878524
H 6.031804 -1.285441 -1.393741
H 4.330340 -1.426803 -0.936740
H 1.911131 1.693144 -1.626014
H 0.776816 1.265493 2.568690
H -4.030573 3.938110 -0.107133
H -2.740548 3.890189 1.128407
H -3.948677 2.566309 1.057573
H -4.870420 0.332913 -3.200494
H 8.135048 1.690625 -0.968131
H 5.511544 -4.758153 -1.275078
H -3.137807 -1.413115 3.420313
H -2.847610 -0.112845 2.243137
H -5.820324 -5.002680 2.218042
H -6.570852 -5.117559 0.611015


